Category: isothiazole

The preparation of ester heterocycles mostly uses heteroatoms as nucleophilic sites, which are achieved by intramolecular substitution or addition reactions. Compound: (1S,3R)-1,2,2-Trimethylcyclopentane-1,3-dicarboxylic acid( cas:560-09-8 ) is researched.Product Details of 560-09-8.Zhao, Xiang; Nguyen, Edward T.; Hong, Anh N.; Feng, Pingyun; Bu, Xianhui published the article 《Chiral Isocamphoric Acid: Founding a Large Family of Homochiral Porous Materials》 about this compound( cas:560-09-8 ) in Angewandte Chemie, International Edition. Keywords: chiral isocamphorate preparation homochiral porous material; transition metal isocamphorate camphorate MOF preparation; crystal structure magnesium cobalt copper isocamphorate camphorate MOF; camphoric acid; chiral ligands; homochiral porous materials; isocamphoric acid; metal-organic frameworks. Let’s learn more about this compound (cas:560-09-8).

Homochiral metal-organic frameworks (MOFs) are an important class of chiral solids with potential applications in chiral recognition; however, relatively few are available. Of great importance is the availability of low-cost, racemization-resistant, and versatile enantiopure building blocks. Among chiral building blocks, D-camphoric acid is highly prolific, yet, its trans-isomer, L-isocamphoric acid, has remained unknown in the entire field of solid-state materials. Its rich yet totally untapped synthetic and structural chem. has now been studied through the synthesis of a large family of homochiral metal isocamphorates. The 1st observation of diastereoisomerism in isostructural MOFs is presented. Isocamphorate has a powerful ability to create framework topologies unexpected from common inorganic building blocks, and isocamphoric acid should allow access to hundreds of new homochiral materials.

The article 《Chiral Isocamphoric Acid: Founding a Large Family of Homochiral Porous Materials》 also mentions many details about this compound(560-09-8)Product Details of 560-09-8, you can pay attention to it, because details determine success or failure

Reference:
Isothiazole – Wikipedia,
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The preparation of ester heterocycles mostly uses heteroatoms as nucleophilic sites, which are achieved by intramolecular substitution or addition reactions. Compound: (1S,3R)-1,2,2-Trimethylcyclopentane-1,3-dicarboxylic acid( cas:560-09-8 ) is researched.Application In Synthesis of (1S,3R)-1,2,2-Trimethylcyclopentane-1,3-dicarboxylic acid.Bisht, Kamal Kumar; Suresh, Eringathodi published the article 《Spontaneous Resolution to Absolute Chiral Induction: Pseudo-Kagome Type Homochiral Zn(II)/Co(II) Coordination Polymers with Achiral Precursors》 about this compound( cas:560-09-8 ) in Journal of the American Chemical Society. Keywords: crystallization resolution chiral induction zinc cobalt coordination polymer. Let’s learn more about this compound (cas:560-09-8).

Conglomerate crystallization of achiral precursors yielding racemate metal organic frameworks/coordination polymers (MOFs/CPs) can be driven to absolute homochiral crystallization of the desired enantiomorph by using a suitable chiral induction agent. In crystallization experiments isostructural Zn and Co homochiral CPs (1P, 1M and 2P, 2M) were prepared using the achiral precursors. In the presence of enantiopure camphoric acid, the crystallization process prefers absolute chiral induction over conglomerate formation which is established by single crystal x-ray diffraction and CD spectroscopy. Crystallog. data are given.

The article 《Spontaneous Resolution to Absolute Chiral Induction: Pseudo-Kagome Type Homochiral Zn(II)/Co(II) Coordination Polymers with Achiral Precursors》 also mentions many details about this compound(560-09-8)Application In Synthesis of (1S,3R)-1,2,2-Trimethylcyclopentane-1,3-dicarboxylic acid, you can pay attention to it, because details determine success or failure

Reference:
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Synthetic Route of C5H7N3S. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: 2-Amino-6-methylpyrimidine-4-thiol, is researched, Molecular C5H7N3S, CAS is 6307-44-4, about Guanine phosphoribosyltransferase from Escherichia coli. Specificity and properties. Author is Miller, Richard L.; Ramsey, Gwendolyn A.; Krenitsky, Thomas A.; Elion, Gertrude B..

The specificity and properties of a novel guanine phosphoribosyltransferase of E. coli were studied and compared to those of the hypoxanthine-guanine phosphoribosyltransferase from other sources. The structural requirements for binding of purines to this enzyme were explored by the determination of the Ki values for 100 purines and purine analogs. The most effective binding occurred when the purine contained an oxo or SH group in the 6 position and an NH2 or OH group in the 2 position. Unlike the hypoxanthine-guanine phosphoribosyltransferase from other sources, this enzyme bound hypoxanthine 67 times less effectively than guanine and 4 times less effectively than xanthine. Rates of nucleotide formation from a number of purines and purine analogs were also determined The enzyme had a pH optimum from 7.4 to 8.2. From secondary double-reciprocal plots derived from an initial velocity anal., the Km values were 0.037mM for guanine and 0.33mM for 5-phosphoribosyl 1-pyrophosphate. The enzyme was sensitive to inhibition by p-chloromercuribenzoate, and this inhibition could be reversed by either dithiothreitol or β-mercaptoethanol. The apparent activation energy with guanine as substrate was 12,800 cal/mole below 23° and 3370 cal/mole above 23°. Using isoelec. focusing, the guanine phosphoribosyltransferase had an apparent pI of 5.50, while the pI of a 2nd enzyme which was specific for hypoxanthine was 4.8.

The article 《Guanine phosphoribosyltransferase from Escherichia coli. Specificity and properties》 also mentions many details about this compound(6307-44-4)Synthetic Route of C5H7N3S, you can pay attention to it, because details determine success or failure

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Epoxy compounds usually have stronger nucleophilic ability, because the alkyl group on the oxygen atom makes the bond angle smaller, which makes the lone pair of electrons react more dissimilarly with the electron-deficient system. Compound: Aluminum(III) sulfate xhydrate, is researched, Molecular Al2H8O13S3, CAS is 17927-65-0, about Freezing droplets of aqueous solutions for the cryochemical process.Related Products of 17927-65-0.

In the cryochem. process for preparing ceramic oxides, a method was developed for freezing droplets of aqueous salt solutions Injection and freezing are conducted in a 2-phase liquid refrigerant. The droplets rise in the refrigerant. freeze, and float at the top. An aqueous solution of Al2(SO4)3.17H2O was freeze-dried.

The article 《Freezing droplets of aqueous solutions for the cryochemical process》 also mentions many details about this compound(17927-65-0)Related Products of 17927-65-0, you can pay attention to it, because details determine success or failure

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Isothiazole – Wikipedia,
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The reaction of an aromatic heterocycle with a proton is called a protonation. One of articles about this theory is 《Pyrimidines. I. Synthesis of pyrimidinethiols》. Authors are Koppel, Henry C.; Springer, Robert Henre; Robins, Roland K.; Cheng, C. C..The article about the compound:2-Amino-6-methylpyrimidine-4-thiolcas:6307-44-4,SMILESS:SC1=CC(C)=NC(N)=N1).Electric Literature of C5H7N3S. Through the article, more information about this compound (cas:6307-44-4) is conveyed.

cf. CA 54, 6747a. The 9 previously unknown isomers of the 22 possible substituted pyrimidinethiols, containing H, HO, NH2, and SH as substituents were synthesized and methods for preparation of some of the previously reported compounds were improved. Various derivatives of RC:N.CR1:N.CR2:CH (I) were prepared for preliminary screening as antitumor agents. HOCH2CH2OH (200 ml.), 125 g. 4,5-Cl(MeS)C4H2N2, and 200 g. NaSH heated slowly to 100° with frothing and bubbling, the mixture carefully heated to 150° and kept 30 min., the solution poured into 1500 ml. H2O and the boiled, decolorized hot filtrate acidified with AcOH, the precipitate reprecipitated from hot dilute aqueous NH4OH with AcOH gave 85 g. I (R = H, R1 = R2 = SH), converted by concentrated HBr to I (R = R1 = H, R2 = SH). NaHS (42 g.) and 13 g. 4,6,2-Cl(HO)(MeS)C4HN2 in 120 ml. HOCH2CH2OH heated 30 min. at 150°, the cooled mixture poured into 500 ml. H2O and the boiled decolorized solution filtered, acidified with AcOH to pH 5 and the refiltered solution adjusted to pH 1.0 with dilute HCl, the product reprecipitated from solution in dilute NH4OH with HCl, and the product recrystallized from HCONMe2-H2O gave 9.0 g. I (R = OH, R1 = R2 = SH), m. 262-4° (method A). The appropriate chloropyrimidine (60 g.) in 500 ml. absolute alc. refluxed 3 hrs. with 150 g. NaHS, the chilled mixture filtered and the alc. washed precipitate boiled in 1 l. H2O, the decolorized solution filtered, the filtrate acidified and the precipitate recrystallized from the appropriate solvent gave RC:N.CR1: N.CR2:CR3 (II) (method B). In method C the procedure was the same but no precipitate was formed. The light yellow alc. solution was diluted with 1 l. boiling H2O and acidified and the precipitate recrystallized The appropriate chloropyrimidine (40 g.) and 40 g. (H2N)2CS in 500 ml. absolute alc refluxed 2 hrs. the mixture chilled and the precipitated ligroine-washed product purified by reprecipitation and recrystallization gave II (method D). The appropriate chloropyrimidine (35 g.) and 70 g. powd. NaHS in 400 ml. H2O was autoclaved 4 hrs. at 150°/8 atm., the solution boiled and the decolorized solution filtered, acidified with AcOH [for the preparation of I (R = NH2, R1 = SH, R2 = OH)] or dilute HCl [for the preparation of I (R = SH, R1 = R2 = OH)], and the products purified by recrystallization (method E). I (R = NH2, R1 = SH, R2 = OH) (50 g. finely powd. and dried at 100°) refluxed 2 hrs. with 150 g. P2S5 in 1.5 l. dry C5H5N, excess C5H5N evaporated in vacuo and the residue diluted cautiously with 750 ml. H2O, the mixture refluxed 2 hrs. on a steam bath with evolution of H2S, the chilled mixture filtered and adjusted to pH 2, the volume reduced to 33% in vacuo and the cooled concentrate filtered, the residue taken up in dilute NH4OH and the boiled decolorized solution filtered, acidified with dilute HCl and the precipitate recrystallized from HCONMe2-H2O gave 35 g. I (R = H2N, R1 = R2 = SH). Purified P2S5 (125 g.) and 52 g. I (R = R1 = H, R2 = OH) refluxed 1 hr. with stirring in l. C5H5N, the hot solution poured into 1 l. H2O and the solution heated on a steam bath 3 hrs., the filtered solution evaporated in vacuo to 200 ml., refrigerated and the H2O-washed product recrystallized from 500 ml. boiling H2O gave 42 g. I (R = R1 = H, R2 = SH). I(R = R2 = Cl, R1 = NH2) (33 g.) added to 1 l. 4:1 alc.-H2O containing 40 g. NaOH saturated with H2S, the mixture refluxed with stirring 2 hrs. with passage of H2S, treated with C and the filtered solution acidified with AcOH gave 42 g. I (R = SH, R1 = NH2, R2 = Cl), m. 302° (decomposition), λ 260 mμ (ε 9800, pH 1), λ 280 mμ (ε 12,500, pH 11), converted by autoclaving with NaHS to I (R = SH, R1 = R2 = OH). I (R = R2 = OH, R1 = SH)(60 g.)in 1 l. 2N NaOH stirred 3 hrs. with dropwise addition of 50 g. Me2SO4, the solution boiled with addition of C and the decolorized filtered solution acidified to pH 1.0 with HCl gave 50 g. I (R = R1 = OH, R1 = MeS) (III), m. above 360° (H2O). III (80 g.) refluxed 2 hrs. with 500 ml. POCl3, excess POCl3 removed in vacuo and the residue poured with stirring over crushed ice, the mixture stirred 20 min. at 0°, filtered and the precipitate washed in ice H2O until the pH of the washings was no longer below 5, the material dried 16 hrs. in vacuo and recrystallized from MeOH and H2O gave 64 g. I (R = R2 = Cl, R1 = MeS) (IV), m 43°. Treatment of IV with NaHS at 150° in HOCH2CH2OH gave I (R = R1 = R2 = SH). NaHS (75 g.) in 500 ml. MeOH at 50° stirred with portionwise addition of 50 g. IV, the mixture stirred 30 min. before dilution with 1 l. H2O, the solution boiled with C and the filtered solution acidified, the product reprecipitated from dilute NH4OH with AcOH, and recrystallized from HCONMe2-H2O gave 40 g. I (R = R2 = HS, R1 = MeS), m. above 360°. IV (50 g.) refluxed with stirring 4 hrs. in 500 ml. 2N NaOH, the solution decolorized and the filtered solution acidified with AcOH, the precipitate purified by reprecipitation and recrystallized from HCONMe2-H2O gave 40 g. I (R = Cl, R1 = MeS, R2 = OH), m. 208°. Absolute MeOH (150 ml.) at 0° treated with 30 g. finely powd. IV, the mixture stirred 45 min. with passage of dry Cl, filtered from 8 g. product, and the filtrate evaporated at 20° in a stream of dry air gave 12 g. product; the crops combined and recrystallized from EtOAc and C7H16 gave 17 g. I (R = R2 = Cl, R1 = MeSO2) (V), m. 119°. V (15 g.) warmed in 200 ml. N NaOH, the filtered solution chilled and the precipitate washed with cold H2O and alc., the dry salt (11.6 g.) in 150 ml. H2O carefully neutralized with HCl and the solution evaporated in vacuo, the residue taken up in boiling Me2CHOH and diluted with C7H16 gave 5 g. I (R = R2 = Cl, R1 = OH), m. 262° (Me2CHOHC7H16). The ultraviolet absorption spectra of the completed series of I showed the approx. maximum of the major peak of I in solutions at pH 1.0 were 280, 300-20, 320-40, and 360-70 mμ for 2-pyrimidinethiols, 4-pyrimidinethiols, 2,4-pyrimidinedithiols, and 4,6-pyrimidinedithiols, resp. Data for I and for a number of known thiopyrimidines, II, not previously published are recorded for comparison [R, R1, R2, R3, m.p. (solvents), and % yield given]: H, SH, H, H, 229-30° (alc.), 70; H, H, SH, H, 190-2° (H2O), 69; H, OH, SH, H, 298-300° (H2O-HCONMe2), 88; H, SH, OH, H, 310-12° (H2O), 73; H, NH2, SH, H, 231-3° (H2O-HCONMe2), 68; OH, H, SH, H, 247° (H2O), 79; H2N, H, SH, H, 306° (H2O-HCONMe2), 61; H, SH, SH, H, 300° (H2O), 70; HS, H, SH, H, 250-2° (H2O), 70; OH, SH, OH, H, above 360° (H2O-HCONMe2), 84; OH, OH, SH, H, 245° (H2O), 54; H2N, OH, SH, H, 355° (H2O-HCONMe2), 43; OH, H2N, SH, H, above 360° (H2O-HCONMe2), 82; H2N, H2N, SH, H, above 360° (reprecipitation), 50; H2N, SH, OH, H, above 360° (reprecipitation), 91; H2N, SH, H2N, H, above 360° (reprecipitation), 93; OH, SH, SH, H, 262-4° (H2O-HCONMe2), 79; H2N, SH, SH, H, above 360° (H2O-HCONMe2), 60; SH, OH, SH, H, 266-7° (H2O-HCONMe2), 46; SH, H2N, SH, H, 267° (H2O), 76; SH, SH, SH, H, above 360° (reprecipitation), 70; Cl, H2N, H, Cl, above 360° (reprecipitation), 63; Me, H2N, SH, H, 321° (reprecipitation), 84; Me, H2N, SH, Br, 207° (H2O-HCONMe2), 98; Me, SH, SH, H, above 360° (H2O-HCONMe2), 70; H, SH, SH, CO2H, 261-3° (H2O-HCONMe2), 63; SH, H, SH, Cl, 215-17° (reprecipitation), 70; SH, H, SH, Br, 213° (reprecipitation), 92; SH, H2N, SH, Ph, 266-8° (H2O-HCONMe2), 60; H, MeS, SH, H, 203° (H2O-HCONMe2), 96; Me, MeS, SH, H, 239° (H2O-HCONMe2), 78; SH, MeS, SH, H, above 360° (H2O-alc.), 80. For comparison of structure and biol. activities in pyrimidine thiols, a number of new related 4-pyrimidine thiols substituted in position 5 were synthesized. Thiopyrimidine (0.08 mole) stirred in 250 ml. N NaOH treated with a stoichiometric amount of the appropriate alkyl halide, the mixture stirred 3 hrs. and the H2O-washed precipitate recrystallized gave the corresponding alkylthiopyrimidine (method A). Similarly, the above reaction mixture on failure to give a precipitate was acidified with AcOH and the product recrystallized to yield the required alkyl thiopyrimidine (method B). The yields ranged from 80 to 95%. Phys. data for alkylthio- and aralkylthiopyrimidines are listed [R, R1, R2, R3 of formula II, method of synthesis, m.p. (solvent, if other than HCONMe2 + H2O) given]: MeS, H, OH, H, B, 230° (H2O); PhCH2S, H, OH, H, B, 238-9°; 2,4-Cl2C6H3CH2S, H, OH, H, B, 191.3°; MeS, H, H2 N, H, A, 168-70°; EtS, H, H2N, H, A, 147-9°; PhCH2S, H, H2N, H, A, 140°; 2,4-Cl2C6H3CH2S, H, H2N, H, A, 184-6°; p-O2NC6H4CH2S, H, H2N, H, A, 165-7°; MeS, H, MeS, H, A, 52-4° (C7H16); MeS, H, MeS, H2N, A, 79°; MeS, H, MeS, Cl, A, 118-20°; EtS, H, EtS, Cl, A, 58-9°; PhCH2S, H, PhCH2S, Cl, A, 86-8°; 2,4-Cl2C6H3CH2S, H 2,4-Cl2C6H3CH2S, Cl, A, 155°; MeS, H, MeS, Br, A, 155°; PrS, H, PrS, Br, A, 44-6°; PhCH2S, H, PhCH2S, Br, A, 95-7°; 2,4-Cl2C6H3CH2S, H, 2,4-Cl2C6H3CH2S, Br, A, 149°; p-O2NC6H4CH2S, H, p-O2NC6H4CH2S, Br, A, 168-70°; PhCH2S, OH, OH, H, B, 242°; H, OH, o-ClC6H4CH2S, H, A, 174-6°; H, OH, 2,4-Cl2C6H3CH2S, H, A, 193-4°; MeS, H2N, H, H, A, 150-3°; Et, H2N, H, H, A, 155°; PhCH2S, H2N, H, H, A, 178-80°; 2,4-Cl2C6H3CH2S, H2N, H, H, A, 155-7°; o-ClC6H4CH2S, H2N, Me, H, A, 143-5°; MeS, H2N, Cl, H, A, 106-8°; EtS, H2N, Cl, H, A, 109-10°; PrS, H2N, Cl, H, A, 105-6°; PrS, H2N, Me, Br, A, 95-7°; o-ClC6H4CH2S, H2N, Me, Br, A, 138-40°; p-O2NC6H4CH2S, H2N, Me, Br, A, 226-8°; EtS, H2N, EtS, H, A, 54°; PrS, H2N, PrS, H, A, 85-7°; PhCH2S, H2N, PhCH2S, H, A, 134-6°; 2,4-Cl2C6H3CH2S, H2N, 2,4-Cl2C6H3CH2S, H, A, 159-61°; MeS, H2N, MeS, Ph, A, 128-9° (C7H15); PhCH2S, H2N, PhCH2S, Ph, A, 207-9° (C7H15); o-ClC6H4CH2S, H2N, o-ClC6H4CH2S, Ph, A, 174-5° (EtOAc); 2,4-Cl2C6H3CH2S, H2N, 2,4-Cl2C6H3CH2S, Ph, A, 164-7° (PhMe); MeS, MeS, Me, H, A, 43-5° (C7H15); 2,4-Cl2C6H3CH2S, MeS, Me, H, A, 100-2°; H2N, MeS, MeS, H, A, 121-3°; MeS, MeS, MeS, H, A, 114-16°; H, MeS, MeS, CO2H, B, 201-3°; PhCH2S, PhCH2S, Me, H, A, 37-9° (C7H15); o-ClC6H4CH2S, o-ClC6H4CH2S, o-ClC6H4CH2S, H, A, 117-18° (H2O-alc.); 2,4-Cl2C6H3CH2S, 2,4-Cl2C6H3CH2S, H, H, A, 94-6° (C7H15); 2,4-Cl2C6H3CH2S, 2,4-Cl2C6H3CH2S, Me, H, A, 107-9° (C7H15); H2N, 2,4-Cl2C6H3CH2S, 2,4-Cl2C6H3CH2S, H, A, 125-7° (C7H15); 2,4-Cl2C6H3CH2S, 2,4-Cl2C6H3CH2S, 2,4-Cl2C6H3CH2S, H, A, 120-4°. Other II prepared were (R, R1, R2, R3, method of synthesis, and m.p. (solvent) given): MeS, OH, H2N, H, B, 294° (H2O); MeS, H2N, Me, H, A, 152°; EtS, H2N, Me, H, A, 122-4°; BuS, H2N, Me, H, A, 70-2°; PhCH2S, H2N, Me, H, A, 118-20°; 2,4-Cl2C6H3CH2S, H2N, Me, H, A, 157-60°; p-O2NC6H4CH2S, H2N, Me, H, A, 157-9°; MeS, H2N, OH, H, B, 274-6°; EtS, H2N, OH, H, B, 248°; PrS, H2N, OH, H, B, 228-32°; BuS, H2N, OH, H, B, 240-2°; C6H11S, H2N, OH, H, B, 185°; MeS, H2N, Me, Br, A, 140-2°; PhCH2S, H2N, Me, Br, A, 135-7°; MeS, H2N, MeS, H, A, 116-18°; OH, MeS, MeS, H, B, 197° (H2O). Ultraviolet maximum at pH 1 and 11 were given for the II prepared

The article 《Pyrimidines. I. Synthesis of pyrimidinethiols》 also mentions many details about this compound(6307-44-4)Electric Literature of C5H7N3S, you can pay attention to it, because details determine success or failure

Reference:
Isothiazole – Wikipedia,
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Safety of Aluminum(III) sulfate xhydrate. So far, in addition to halogen atoms, other non-metallic atoms can become part of the aromatic heterocycle, and the target ring system is still aromatic. Compound: Aluminum(III) sulfate xhydrate, is researched, Molecular Al2H8O13S3, CAS is 17927-65-0, about Large-scale synthesis of mullite nanowires by molten salt method.

Single-crystalline mullite (3Al2O3·2SiO2) nanowires have been produced in large quantities by a low cost and environmentally benign molten salt synthesis (MSS) method. The raw materials, Al2(SO4)3 and SiO2 powders, react in molten Na2SO4 at 1000 °C to produce mullite nanowires without the use of surfactants or templates. After the synthesis, the remaining salts can be easily separated from the products by washing with water. The final products are characterized by X-ray powder diffraction, field emission SEM, transmission electron microscopy, energy-dispersive X-ray spectroscopy, selected-area electron diffraction, and inductively coupled plasma-at. emission spectrometry. The thermal and chem. behavior of the raw materials is investigated by heating at a rate of 10 °C/min up to 1200 °C in air followed by thermogravimetric and differential scanning calorimetry analyses. The single-crystalline mullite nanowires have diameters of 30-80 nm and lengths from several hundreds of nanometers to micrometers and the growth mechanism is discussed.

The article 《Large-scale synthesis of mullite nanowires by molten salt method》 also mentions many details about this compound(17927-65-0)Safety of Aluminum(III) sulfate xhydrate, you can pay attention to it, because details determine success or failure

Reference:
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The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: 2-Amino-6-methylpyrimidine-4-thiol(SMILESS: SC1=CC(C)=NC(N)=N1,cas:6307-44-4) is researched.SDS of cas: 17927-65-0. The article 《Inhibition studies of Pyrimidine class of compounds on Enoyl-ACP reductase enzyme》 in relation to this compound, is published in Journal of Computer Science & Systems Biology. Let’s take a look at the latest research on this compound (cas:6307-44-4).

Present work is aimed to identify and understand the inhibiting nature of Pyrimidine class of compounds to enoyl acyl carrier protein reductase (Enoyl-ACP reductase), which is one of the main receptor proteins used in drug discovery for screening anti-leprosy agents. Series of Pyrimidine based compounds are virtually designed using the mol. mechanic technique. The designed mols. were docked using with crystal structure of Enoyl-ACP reductase (PDB ID: 2NTV) using Autodock mol. docking software. The method uses rigid-protein and flexible ligand-techniques to acquire maximum conformations of ligand mols. The docking results were evaluated using the acquired binding energy values for each ligand-protein complex. Those mols. having higher neg. binding energy values with higher hydrogen bonds are selected for further anal. The selected mols. show better hydrophobic, electrostatic and steric interactions with receptor protein. It is reported that the presence of -CH2OH at R1 and -C6H5 at R2 and R3 positions enhance the neg. binding energy (ΔG kcal mol-1) values. Particularly -OC6H5 at R1 and -OH at R2 help in increasing the interactions between ligand and protein. The results show the mol. level interactions and inhibit the receptor protein.

The article 《Inhibition studies of Pyrimidine class of compounds on Enoyl-ACP reductase enzyme》 also mentions many details about this compound(6307-44-4)Formula: C5H7N3S, you can pay attention to it, because details determine success or failure

Reference:
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In general, if the atoms that make up the ring contain heteroatoms, such rings become heterocycles, and organic compounds containing heterocycles are called heterocyclic compounds. An article called Differential thermal analysis (DTA) and thermogravimetric analysis (TGA) study of some organic acids. II, published in 1963, which mentions a compound: 560-09-8, Name is (1S,3R)-1,2,2-Trimethylcyclopentane-1,3-dicarboxylic acid, Molecular C10H16O4, Application In Synthesis of (1S,3R)-1,2,2-Trimethylcyclopentane-1,3-dicarboxylic acid.

cf. CA 59, 8105f. The DTA and TGA curves of 5-aminosalicylic, 5-nitrosalicylic, acetylsalicylic, 5-bromosalicylic, salicylhydroxamic, α,β-dibromosuccinic, m-cresoxyacetic, p-bromomandelic, d-camphoric, diphenic, picric, 2,4-dimethoxybenzoic, m-hydroxybenzoic, 3,4-dihydroxybenzoic (1.5H2O), 4-hydroxy-3-methoxybenzoic, and tropic acids were obtained from ambient to 350°. The DTA curves are useful for identifying the acids.

The article 《Differential thermal analysis (DTA) and thermogravimetric analysis (TGA) study of some organic acids. II》 also mentions many details about this compound(560-09-8)Application In Synthesis of (1S,3R)-1,2,2-Trimethylcyclopentane-1,3-dicarboxylic acid, you can pay attention to it, because details determine success or failure

Reference:
Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

In organic chemistry, atoms other than carbon and hydrogen are generally referred to as heteroatoms. The most common heteroatoms are nitrogen, oxygen and sulfur. Now I present to you an article called High-yield regioselective thiation of biologically important pyrimidinones, dihydropyrimidinones and their ribo, 2′-deoxyribo and 2′,3′-dideoxyribo nucleosides, published in 1993-02-28, which mentions a compound: 6307-44-4, mainly applied to pyrimidinone regioselective thiation Lawesson reagent; nucleoside pyrimidinone regioselective thiation Lawesson reagent, Reference of 2-Amino-6-methylpyrimidine-4-thiol.

Convenient and high-yield regioselective thiation procedures based on the use of the Lawesson reagent in different solvents, are described for conversion of the 2- and 4-keto, and 2,4-diketo pyrimidines to the corresponding 2(4)-thio, and 2,4-dithio, derivatives This method is applicable to thiation of the 4-keto groups of 5,6-dihydropyrimidinones and pyrimidine nucleosides. The mild reaction conditions employed are such that it is the method of choice for compounds with labile glycosidic bonds, of choice for compounds with labile glycosidic bonds, such as 5,6-dihydropyrimidine nucleosides and the 2′,3′-dideoxynucleosides currently of interest as antiretroviral, including anti-HIV, agents.

The article 《High-yield regioselective thiation of biologically important pyrimidinones, dihydropyrimidinones and their ribo, 2′-deoxyribo and 2′,3′-dideoxyribo nucleosides》 also mentions many details about this compound(6307-44-4)Reference of 2-Amino-6-methylpyrimidine-4-thiol, you can pay attention to it, because details determine success or failure

Reference:
Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

So far, in addition to halogen atoms, other non-metallic atoms can become part of the aromatic heterocycle, and the target ring system is still aromatic.Tan, Qitao; Wang, Yunying; Li, Daliang; Wen, Jiwu; You, Tianpa researched the compound: (1S,3R)-1,2,2-Trimethylcyclopentane-1,3-dicarboxylic acid( cas:560-09-8 ).Safety of (1S,3R)-1,2,2-Trimethylcyclopentane-1,3-dicarboxylic acid.They published the article 《A novel and efficient synthesis of camphorquinone from camphoric acid》 about this compound( cas:560-09-8 ) in Synthesis. Keywords: camphorquinone preparation. We’ll tell you more about this compound (cas:560-09-8).

Camphorquinone, an important fine chem. and medicinal product derived from camphor, was efficiently synthesized from easily available camphoric acid. The key steps include acyloin condensation using Me3SiCl as a scavenger of alkoxides and oxidation of the bis(trimethylsilyl) derivative by bromine in CCl4. The new method offers an efficient alternative synthesis of camphorquinone.

The article 《A novel and efficient synthesis of camphorquinone from camphoric acid》 also mentions many details about this compound(560-09-8)Safety of (1S,3R)-1,2,2-Trimethylcyclopentane-1,3-dicarboxylic acid, you can pay attention to it, because details determine success or failure

Reference:
Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com