Tag: M.W:100-200

New Advances in Chemical Research in 2021, Reactions catalyzed within inorganic and organic materials and at electrochemical interfaces commonly occur at high coverage and in condensed media. 611-14-3, Name is 1-Ethyl-2-methylbenzene, molecular formula is C9H12, belongs to isothiazole compound. In a document, author is Liu, ZP, introduce the new discover, COA of Formula: C9H12.

A novel method for the synthesis of benzo[d]isothiazole 1,1-diones with a secondary alkyl substituent at the 3-position is described. Treatment of N-tert-butylbenzenesulfonamide (1) with an excess of BuLi, followed by the reaction with methyl 2-arylpropanoate, gave the corresponding ortho-functionalized benzenesulfonamides 2a-d, which underwent cyclization under TMSCl-NaI-MeCN reflux conditions to afford 3-substituted benzo[d]isothiazole 1,1-diones 3a-d.

Each elementary reaction can be described in terms of its molecularity, the number of molecules that collide in that step. If you are hungry for even more, make sure to check my other article about 611-14-3, COA of Formula: C9H12.

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

Chemical Research Letters, April 2021. Catalysts allow a reaction to proceed via a pathway that has a lower activation energy than the uncatalyzed reaction. 591-31-1, Name is 3-Methoxybenzaldehyde, molecular formula is C8H8O2, Safety of 3-Methoxybenzaldehyde, belongs to isothiazole compound, is a common compound. In a patnet, author is Wu, Liang, once mentioned the new application about 591-31-1.

An enantioselective Friedel-Crafts alkylation reaction of indoles with cyclic N-sulfonyl ketimino esters was developed. Under the optimized conditions using a chiral copper(II) triflate-bisoxazoline complex as the catalyst, a range of N-sulfonyl ketimino ester derivatives and indoles reacted smoothly to afford indole-containing chiral cyclic alpha-amino esters bearing tetrasubstituted alpha-stereogenic centers [3-ethoxycarbonyl-3-(3-indolyl)-2,3-dihydrobenzo[d]isothiazole 1,1-dioxides] in excellent yields and with high enantioselectivities (up to 99% ee). Pyrrole and N,N-dimethylaniline were also investigated as aromatic substrates to afford the corresponding products with good results. An asymmetric induction model was then proposed on the basis of the observed absolute configuration of the product 3-ethoxycarbonyl-3-(5-bromo-3-indolyl)-2,3-dihydrobenzo[d]isothiazole 1,1-dioxide. Synthetic transformations to convert the products into cyclic chiral N-sulfonamido alcohols and the deprotection of the sulfonamides were performed. This study provides an efficient approach to chiral alpha-tetrasubstituted indolic alpha-amino acids as potential building blocks for peptides and biologically active molecules.

Each elementary reaction can be described in terms of its molecularity, the number of molecules that collide in that step. If you are hungry for even more, make sure to check my other article about 591-31-1, Safety of 3-Methoxybenzaldehyde.

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

New Advances in Chemical Research in 2021. Chemistry is a science major with cience and engineering. The main research directions are chemical synthesis,and research on the structure and performance of functional materials. 2107-69-9, Name is 5,6-Dimethoxy-2,3-dihydro-1H-inden-1-one, molecular formula is C11H12O3, belongs to isothiazole compound. In a document, author is TARI, LW, introduce the new discover, Safety of 5,6-Dimethoxy-2,3-dihydro-1H-inden-1-one.

C13H12N2OS, M(r) = 244.31, monoclinic, P2(1)/a, a = 7.743 (2), b = 12.430 (5), c = 12.776 (5) angstrom, beta = 90.52 (3)-degrees, V = 1229.6 (7) angstrom 3, Z = 4, D(x) = 1.32 Mg m-3, lambda(Mo K-alpha) = 0.71069 angstrom, graphite monochromator, mu = 0.236 mm-1, F(000) = 512, T = 295 K, R = 0.040, wR = 0.049 for 2958 independent reflections collected. This is only the third example of a crystal structure containing a 2,1-benzisothiazole ring system. Bond lengths in the isothiazole ring of the title compound suggest much less double-bond character than observed in the other two known structures. The molecule is essentially planar and packs in the crystal with the benzisothiazole rings stacked in the [100] direction.

Each elementary reaction can be described in terms of its molecularity, the number of molecules that collide in that step. If you are hungry for even more, make sure to check my other article about 2107-69-9, Safety of 5,6-Dimethoxy-2,3-dihydro-1H-inden-1-one.

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

New Advances in Chemical Research in 2021, Reactions catalyzed within inorganic and organic materials and at electrochemical interfaces commonly occur at high coverage and in condensed media. 91-10-1, Name is 2,6-Dimethoxyphenol, molecular formula is C8H10O3, belongs to isothiazole compound. In a document, author is Dolenc, Darko, introduce the new discover, Product Details of 91-10-1.

A series of EDA complexes of N-iodosaccharin (NISac) and N-bromosaccharin (NBSac) with nitrogen and oxygen electron-pair donors, NISac center dot H2O, NISac center dot THF, NISac center dot Py, NISac(2)center dot Pyz and NBSac(2)center dot Pyz, was prepared and examined by X-ray diffraction and NMR. The complexes are relatively stable, crystalline compounds with the ligand bound to the halogen atom in a nearly linear arrangement N-halogen-ligand. The halogen-ligand distances are inversely proportional to the donor ability of the ligand. The interactions between ligand and halogen are stronger for iodine than bromine. The X-ray structure analysis has shown that for some compounds the N-X bond in the halosaccharin moiety is not coplanar with the isothiazole ring, and the quantum-chemical calculations demonstrate a high flexibility of the corresponding angle. Complexes were modelled also by DFT calculations using B3LYP and MPW1K functionals. A better fit of the computed geometry was obtained by the geometry optimization in a polar solvent continuum than in vacuum.

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 91-10-1, Product Details of 91-10-1.

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

New discoveries in chemical research and development in 2021, The transformation of simple hydrocarbons into more complex and valuable products via catalytic C–H bond functionalisation has revolutionised modern synthetic chemistry. 455-19-6, Name is 1-Formyl-4-trifluoromethylbenzene, SMILES is O=CC1=CC=C(C(F)(F)F)C=C1, in an article , author is Zhao, MX, once mentioned of 455-19-6, Computed Properties of C8H5F3O.

Cyclic and acyclic ketene aminals with different electron withdrawing groups reacted with aryl isothiocyanates to give the corresponding alpha – carbon adducts in high yield which underwent oxidative cyclization with bromine to afford isothiazole compounds in moderate yield.

Each elementary reaction can be described in terms of its molecularity, the number of molecules that collide in that step. If you are hungry for even more, make sure to check my other article about 455-19-6, Computed Properties of C8H5F3O.

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

Chemical Research Letters, April 2021. Catalysts allow a reaction to proceed via a pathway that has a lower activation energy than the uncatalyzed reaction. 66-77-3, Name is 1-Naphthaldehyde, molecular formula is C11H8O, Category: isothiazole, belongs to isothiazole compound, is a common compound. In a patnet, author is Degl’lnnocenti, A, once mentioned the new application about 66-77-3.

Reactions of hexamethyldisilathiane (HMDST) with carbonyl compounds under the catalytic activity of CoCl2 center dot 6H(2)O or trimethylsilyltriflate lead to a simple and general access to thioaldehydes and thioketones, which could be isolated as their cycloadducts with dienes. The use of CF3SO3SiMe3 in reactions with cyclohexadiene allows a stereopredetermined access to either the endo- or the exo-isomer. Furthermore, on using P-silyl-substituted acetylenic ketones, a smooth access to acetylenic thioketones can be achieved. In reactions with aromatic and heteroaromatic o-azido aldehydes, the reactivity of HMDST may be finely tuned toward the synthesis of o-azido thioaldehydes, fused isothiazole ring systems, aromatic and heteroaromatic o-amino aldehydes, and o-amino thioaldehydes. HMDST proved also very efficient in thionating more intriguing substrates such as acylsilanes. Thus, thioacylsilanes, thioformylsilanes, unsaturated thioacylsilanes and -stannanes can be obtained in good yields. Ethylenic thioacylsilanes showed an interesting behavior leading to a general synthesis of functionalized dithiins. Finally, HMDST led also to the synthesis of bis(thioacylsilanes), which led to the formation of new silylated thiaheterocyclic systems.

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 66-77-3, Category: isothiazole.

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

New research progress on 581-96-4 in 2021. As an important bridge between the micro and macro material world, chemistry is one of the main methods and means for humans to understand and transform the material world. 581-96-4, Name is 2-(Naphthalen-2-yl)acetic acid, formurla is C12H10O2. In a document, author is Vicini, Paola, introducing its new discovery. Quality Control of 2-(Naphthalen-2-yl)acetic acid.

Several benzo[d]isothiazole hydrazones have been evaluated for their potential antiretroviral activity. Since a number of these compounds were found to be inactive against viruses, but showed cytotoxicity at micromolar concentrations against the human CD4(+) lymphocytes (MT-4) that were used to support HIV-1 growth, they were further tested for antiproliferative activity. The compounds resulted as being cytotoxic for MT-4 cells and new derivatives which were rationally designed and synthesized, were tested for antiproliferative activity against several leukaemia and solid, tumour cell lines. In addition, these compounds were evaluated against normal cell lines. Compound 2h proved to be the most active compound and the fragment -CO-NH-N=CH-2-hydroxyphenyl was identified as being very important for biological activity, suggesting intramolecular, hydrogen bond formation or favourable mutual disposition between two important centres in the pharmacophore. H-1-NMR spectra have been explained with the support of a conformational analysis. (c) 2006 Elsevier SAS. All rights reserved.

The proportionality constant is the rate constant for the particular unimolecular reaction. the reaction rate is directly proportional to the concentration of the reactant. In my other articles, you can also check out more blogs about 581-96-4. Quality Control of 2-(Naphthalen-2-yl)acetic acid.

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

New Advances in Chemical Research in 2021, Reactions catalyzed within inorganic and organic materials and at electrochemical interfaces commonly occur at high coverage and in condensed media. 700-12-9, Name is 1,2,3,4,5-Pentamethylbenzene, molecular formula is C11H16, belongs to isothiazole compound. In a document, author is Muniz-Miranda, Maurizio, introduce the new discover, HPLC of Formula: C11H16.

The adsorption of isothiazole on silver colloids was studied by surface-enhanced Raman scattering (SERS) spectroscopy in comparison with other five-membered heterocycles. The experimental results coupled with those obtained by density functional theory calculations for molecule/metal complexes evidenced the presence of positively charged active sites on the surface of the silver nanoparticles, along with a close relation between ligand basicity and strong SERS effect.

One of the oldest and most widely used commercial enzyme inhibitors is aspirin, which selectively inhibits one of the enzymes involved in the synthesis of molecules that trigger inflammation. Interested yet? Keep reading other articles of 700-12-9, you can contact me at any time and look forward to more communication. HPLC of Formula: C11H16.

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

New research progress on 3034-86-4 in 2021. As an important bridge between the micro and macro material world, chemistry is one of the main methods and means for humans to understand and transform the material world. 3034-86-4, Name is Methyl 4-ethynylbenzoate, formurla is C10H8O2. In a document, author is Hegelund, F., introducing its new discovery. Name: Methyl 4-ethynylbenzoate.

The gas phase IR spectrum of isothiazole, C3H3NS, between 550 and 1700 cm(-1) was recorded with a resolution of ca. 0.003 cm (-1). The rotational structure of seven fundamental bands in the region 750-1500 cm-1 has been assigned and analysed by the Watson Hamiltonian model. A number of local resonances in the bands have been identified and explained qualitatively in terms of Coriolis interactions. For each band upper state spectroscopic constants, including band center, rotational constants, and quartic centrifugal distortion constants are given. From observed crossings due to resonances we locate the weak bands v(9)(A’) and v(13)(A’) at 1041.9(2) and 642.0(3) cm(-1) respectively. The anharmonic frequencies have been determined using a cc-pVTZ basis set, at the MP2 and B3LYP levels; the two theoretical methods give very similar results for rotational constants, anharmonic band center frequencies and distortion constants, and many of these are in good agreement with experiment. (c) 2005 Elsevier B.V. All rights reserved.

One of the oldest and most widely used commercial enzyme inhibitors is aspirin, which selectively inhibits one of the enzymes involved in the synthesis of molecules that trigger inflammation. Interested yet? Keep reading other articles of 3034-86-4, you can contact me at any time and look forward to more communication. Name: Methyl 4-ethynylbenzoate.

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

Chemical Research Letters, April 2021. Catalysts allow a reaction to proceed via a pathway that has a lower activation energy than the uncatalyzed reaction. 459-56-3, Name is (4-Fluorophenyl)methanol, molecular formula is C7H7FO, Category: isothiazole, belongs to isothiazole compound, is a common compound. In a patnet, author is Vicentini, Chiara Beatrice, once mentioned the new application about 459-56-3.

Context: The diseases of plants and humans due to pathogenic fungi are increasing. Among the substances used to combat fungi, the azoles are of primary interest, both in agricultural field both in health. To avoid fungal resistance phenomena, the synthesis and tests of new derivatives are necessary. Objective: This article discusses the synthesis and the antifungal activity of pyrazolo[3,4-c]isothiazole and isothiazolo[4,3-d]isoxazole derivatives against three fungi that are pathogenic only for plants and two fungi that are opportunistic in humans and plants. Materials and Methods: The compounds were prepared starting from 2-cyano-3-ethoxy-2-butenethioamide. The antifungal activity of the compounds was determined by measuring the inhibition of growth of the fungi tested at 20, 50, and 100 mu A mu g/mL in comparison with the controls. Results: Results demonstrated that several compounds were able to control the mycelial growth of the tested fungi, even if they showed different sensitivity to the different azole-derivatives. In general Magnaporthe grisea (T.T. Hebert) Yaegashi & Udagawa was the most sensitive fungus, being blocked almost entirely by 4-chloro derivative even at 20 mu A mu g/mL, a concentration at which the reference commercial compound tricyclazole was nearly ineffective. Discussion and conclusion: These findings demonstrate that the pyrazolo[3,4-c]isothiazole derivatives have a wide spectrum of activity on phytopathogenic and opportunistic fungi. In particular the 4-chloro derivative seems to have a great potential as new product to combat M. grisea in the agricultural field.

Note that a catalyst decreases the activation energy for both the forward and the reverse reactions and hence accelerates both the forward and the reverse reactions. you can also check out more blogs about 459-56-3. Category: isothiazole.

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