Tag: M.W:100-200

The three-dimensional configuration of the ester heterocycle is basically the same as that of the carbocycle. Compound: 2-(tert-Butyl)isothiazol-3(2H)-one 1,1-dioxide(SMILESS: O=C(C=C1)N(C(C)(C)C)S1(=O)=O,cas:119639-24-6) is researched.Quality Control of 4-Acetamido-2,2,6,6-tetramethyl-1-oxopiperidinium Tetrafluoroborate. The article 《Isothiazolidinone heterocycles as inhibitors of protein tyrosine phosphatases: Synthesis and structure-activity relationships of a peptide scaffold》 in relation to this compound, is published in Bioorganic & Medicinal Chemistry. Let’s take a look at the latest research on this compound (cas:119639-24-6).

Oxo- and trioxo-substituted isothiazolidinylphenylalanines are prepared as tyrosine mimetics by Suzuki coupling reactions of chloroisothiazolidinones and chlorodioxoisothiazolidinones with N-Boc-4-borono-L-phenylalanine derivatives; the isothiazolidinylphenylalanines (with or without subsequent hydrogenation) are incorporated into dipeptides prepared as human protein tyrosine phosphatase 1B (PTP1B) inhibitors such as I. Of the compounds tested, I is the most potent inhibitor of PTP1B with an IC50 value of 40 nM; the corresponding mixture of isothiazolidinone diastereomers inhibits PTP1B with an IC50 value of 80 nM, and the separated (R)-isothiazolidinone diastereomer inhibits PTB1B with an IC50 value of 15.5 μM; the related dipeptides prepared inhibit PTP1B less potently than either I or the mixture of isothiazolidine diastereomers containing I. Crystal structures of a dioxothiazolidinone-substituted dipeptide and a dioxoisothiazolinone-substituted dipeptide bound to PTP1B are determined by X-ray crystallog.; the low energy conformation found by ab initio calculations for the saturated heterocycle more closely approaches the conformation obtained upon binding to PTP1B than that of the unsaturated heterocycle.

If you want to learn more about this compound(2-(tert-Butyl)isothiazol-3(2H)-one 1,1-dioxide)Recommanded Product: 119639-24-6, you may wish to communicate with the author of the article,or consult the relevant literature related to this compound(119639-24-6).

Reference:
Isothiazole – Wikipedia,
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Name: 2-Amino-6-methylpyrimidine-4-thiol. The protonation of heteroatoms in aromatic heterocycles can be divided into two categories: lone pairs of electrons are in the aromatic ring conjugated system; and lone pairs of electrons do not participate. Compound: 2-Amino-6-methylpyrimidine-4-thiol, is researched, Molecular C5H7N3S, CAS is 6307-44-4, about Aryl ethers of 4-[(2-hydroxyethyl)sulfanyl]pyrimidine derivatives: Pathways of synthesis and fungicidal activity of their salt forms. Author is Erkin, A. V.; Klaptyuk, I. V.; Gurzhii, V. V.; Yuzikhin, O. S.; Krutikov, V. I..

2-Amino-4-[(2-aryloxyethyl)sulfanyl]-6-methylpyrimidines were obtained by S-alkylation of 2-amino-6-methylpyrimidin-4(3H)-thione with 2-aryloxyethyl chlorides. Since 2-amino-4-[(2-chloroethyl)sulfanyl]-6-methylpyrimidine is prone to in situ intramol. cyclization it cannot be used in Claisen reaction. The bromination of the target compounds provided 5-bromo derivatives; some of their hydrochlorides exhibited fungicidal activity.

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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 Quantum Chemistry, NMR Spectroscopy, and Single-Crystal Diffractometry Methods in the Analysis of Protonation Pathways of 2-Amino-4-benzylsulfanyl-6-methylpyrimidines, published in 2019-01-31, which mentions a compound: 6307-44-4, mainly applied to aminomethyl pyrimidinethione benzyl chloride protonation mechanism NMR chem shift, Application In Synthesis of 2-Amino-6-methylpyrimidine-4-thiol.

Protonation pathways of 2-amino-4-benzylsulfanyl-6-methylpyrimidines have been investigated by means of semiempirical PM3 quantum-chem. simulation, 13C NMR spectroscopy, and single-crystal diffractometry methods. In the gas phase and in the bipolar aprotic solvent, the protonation involves the N1 atom. The protonation in the crystalline state is characterized by the formation of a branched system of H-bonds, involving the protons of the amino group besides the mentioned nitrogen atom.

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Reference:
Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

Application of 1268340-93-7. The reaction of aromatic heterocyclic molecules with protons is called protonation. Aromatic heterocycles are more basic than benzene due to the participation of heteroatoms. Compound: (Piperidinium-1-ylmethyl)trifluoroborate, is researched, Molecular C6H13BF3N, CAS is 1268340-93-7, about Cross-Coupling of Mesylated Phenol Derivatives with Potassium Ammonio- and Amidomethyltrifluoroborates. Author is Molander, Gary A.; Beaumard, Floriane.

A large array of aryl and heteroaryl mesylates have been successfully employed as electrophiles in a Csp2-Csp3 Suzuki-Miyaura cross-coupling with potassium ammonio- and amidomethyltrifluoroborates to afford the corresponding products in high yields.

If you want to learn more about this compound((Piperidinium-1-ylmethyl)trifluoroborate)Application of 1268340-93-7, you may wish to communicate with the author of the article,or consult the relevant literature related to this compound(1268340-93-7).

Reference:
Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: 2-(tert-Butyl)isothiazol-3(2H)-one 1,1-dioxide, is researched, Molecular C7H11NO3S, CAS is 119639-24-6, about Palladium-Catalyzed [3 + 2] Cycloaddition via Twofold 1,3-C(sp3)-H Activation, the main research direction is palladium catalyzed cycloaddition carbon hydrogen bond activation; amide lactam cycloaddition maleimide.Category: isothiazole.

Cycloaddition reactions provide an expeditious route to construct ring systems in a highly convergent and stereoselective manner. For a typical cycloaddition reaction to occur, however, the installation of multiple reactive functional groups (π-bonds, leaving group, etc.) is required within the substrates, compromising the overall efficiency or scope of the cycloaddition reaction. Here, we report a palladium-catalyzed [3 + 2] reaction that utilizes twofold C(sp3)-H activation to generate the three-carbon unit for formal cycloaddition The initial β-C(sp3)-H activation of aliphatic amide, followed by maleimide insertion, triggers a relayed, second C(sp3)-H activation to complete a formal [3 + 2] cycloaddition The key to success was the use of weakly coordinating amide as the directing group, as previous studies have shown that Heck or alkylation pathways are preferred when stronger-coordinating directing groups are used with maleimide coupling partners [e.g., N,N-dimethylpivalamide + N-(4-nitrophenyl)maleimide → I (87%, dr 6:1)]. To promote the amide-directed C(sp3)-H activation step, the use of pyridine-3-sulfonic acid ligands is crucial. This method is compatible with a wide range of amide substrates, including lactams, which lead to spiro-bicyclic products. The [3 + 2] product is also shown to undergo a reductive desymmetrization process to access chiral cyclopentane bearing multiple stereocenters with excellent enantioselectivity.

If you want to learn more about this compound(2-(tert-Butyl)isothiazol-3(2H)-one 1,1-dioxide)Category: isothiazole, you may wish to communicate with the author of the article,or consult the relevant literature related to this compound(119639-24-6).

Reference:
Isothiazole – Wikipedia,
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Ganatra, Sunil H.; Bodhe, Manoj N.; Tatode, P. N. published the article 《Inhibition studies of Pyrimidine class of compounds on Enoyl-ACP reductase enzyme》. Keywords: enoyl ACP reductase pyrimidine antileprosy mol docking modeling leprosy.They researched the compound: 2-Amino-6-methylpyrimidine-4-thiol( cas:6307-44-4 ).Related Products of 6307-44-4. Aromatic heterocyclic compounds can be divided into two categories: single heterocyclic and fused heterocyclic. In addition, there is a lot of other information about this compound (cas:6307-44-4) here.

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.

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Reference:
Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

Application of 6307-44-4. The reaction of aromatic heterocyclic molecules with protons is called protonation. Aromatic heterocycles are more basic than benzene due to the participation of heteroatoms. Compound: 2-Amino-6-methylpyrimidine-4-thiol, is researched, Molecular C5H7N3S, CAS is 6307-44-4, about High-yield regioselective thiation of biologically important pyrimidinones, dihydropyrimidinones and their ribo, 2′-deoxyribo and 2′,3′-dideoxyribo nucleosides. Author is Felczak, Krzysztof; Bretner, Maria; Kulikowski, Tadeusz; Shugar, David.

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.

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Reference:
Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

Recommanded Product: 2-(tert-Butyl)isothiazol-3(2H)-one 1,1-dioxide. 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: 2-(tert-Butyl)isothiazol-3(2H)-one 1,1-dioxide, is researched, Molecular C7H11NO3S, CAS is 119639-24-6, about A facile construction of 4-hydroxymethylbenzisothiazolone-1,1-dioxide.

4-Hydroxymethylbenzisothiazolone-1,1-dioxide could be facilely synthesized via a highly regioselective Diels-Alder cycloaddition between furfuryl alc. and 2-(tert-butyl)-isothiazolone-1,1-dioxide, followed by aromatization of the adduct under basic conditions. A secondary effect from intramol. hydrogen bonding influences the regioselectivity of the cycloaddition Unequivocal proof of the regiochem. of the Diels-Alder reaction is provided by X-ray crystallog. and ab initio calculations showed electronic and steric effects on transition structure asynchronicity.

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Reference:
Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

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: 2-(tert-Butyl)isothiazol-3(2H)-one 1,1-dioxide, is researched, Molecular C7H11NO3S, CAS is 119639-24-6, about Asymmetric Diels-Alder reactions with chiral 1-azadienes.SDS of cas: 119639-24-6.

Chiral 1-azadienes I (R1, R2 = H, Me) derived from α,β-unsaturated aldehyde and Enders’ hydrazines cycloadd to cyclic dienophiles with high facial selectivities. The adducts can be readily converted into enantiomerically pure piperidine derivatives, e.g. II.

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Reference:
Isothiazole – Wikipedia,
Isothiazole – ScienceDirect.com

New research progress on 3034-86-4 in 2021. Career opportunities within science and technology are seeing unprecedented growth across the world, and those who study chemistry or another natural science at university now have increasingly better career prospects. 3034-86-4, Name is Methyl 4-ethynylbenzoate, formurla is C10H8O2. In a document, author is Incerti, Matteo, introducing its new discovery. Formula: C10H8O2.

Investigation of the reaction between benzo[d]isothiazol-3-one, 2-aminobenzo[d]isothiazol-3-one, its isoster 2-aminoisoindolin-1-one, and activated acetylenes, in the presence of triphenylphosphine, led us to synthesize novel heterocyclic compounds that could be attractive for the building of biologically active molecules. A one-pot PPh3-promoted tandem reaction, with acetylene dicarboxylates and dibenzoylacetylene, afforded new tricyclic pyrazolo-fused benzisothiazoles. The PPh3-promoted reaction between benzisothiazolones and methyl propiolate afforded 1,4-benzothiazepine-5-one derivatives, via an isothiazole ring expansion. These studies are providing additional insights in benzisothiazolone chemistry and describe simple and original synthetic accesses to novel derivatives.

Because enzymes can increase reaction rates by enormous factors and tend to be very specific, typically producing only a single product in quantitative yield. If you are hungry for even more, make sure to check my other article about 3034-86-4, Formula: C10H8O2.

Reference:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com