Tag: M.W=100-150

I found the field of Chemistry very interesting. Saw the article Sterically controlled C-H/C-H homocoupling of arenes via C-H borylation published in 2019. Category: isothiazole, Reprint Addresses Srinivasan, R (corresponding author), Tianjin Univ, SPST, Bldg 24,92 Weijin Rd, Tianjin 300072, Peoples R China.. The CAS is 151-10-0. Through research, I have a further understanding and discovery of 1,3-Dimethoxybenzene

A mild one-pot protocol for the synthesis of symmetrical biaryls by sequential Ir-catalyzed C-H borylation and Cu-catalyzed homocoupling of arenes is described. The regiochemistry of the biaryl formed is sterically controlled as dictated by the C-H borylation step. The methodology is also successfully extended to heteroarenes. Some of the products obtained by this approach are impossible to obtain via the Ullmann or the Suzuki coupling protocols. Finally, we have shown a one-pot sequence describing C-H borylation/Cu-catalyzed homocoupling/Pd-catalyzed Suzuki coupling to obtain pi-extended arene frameworks.

About 1,3-Dimethoxybenzene, If you have any questions, you can contact Pei, XC; Zhou, G; Li, XJ; Xu, YC; Panicker, RC; Srinivasan, R or concate me.. Category: isothiazole

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

COA of Formula: C8H8O2. Authors Sang, DY; Yue, HX; Fu, Y; Tian, J in AMER CHEMICAL SOC published article about in [Sang, Dayong; Yue, Huaxin; Fu, Yang; Tian, Juan] Jingchu Univ Technol, Coll Chem Engn & Pharm, Jingmen 448000, Hubei, Peoples R China in 2021, Cited 50. The Name is 3-Methylbenzoic acid. Through research, I have a further understanding and discovery of 99-04-7

A one-pot procedure for deprotecting carboxylic esters under nonhydrolytic conditions is described. Typical alkyl carboxylates are readily deblocked to the carboxylic acids by the action of aluminum powder and iodine in anhydrous acetonitrile. Cleavage of lactones affords the corresponding omega-iodoalkylcarboxylic acids. Aryl acetylates undergo deacetylation with the participation of the neighboring group. This method enables the selective cleavage of alkyl carboxylic esters in the presence of aryl esters.

About 3-Methylbenzoic acid, If you have any questions, you can contact Sang, DY; Yue, HX; Fu, Y; Tian, J or concate me.. COA of Formula: C8H8O2

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

An article Redox-Neutral Nickel-Catalyzed Cross-Coupling Reactions of (Homo)allylic Alcohols and Aryltriflates WOS:000664333800054 published article about ALLYLIC ALCOHOLS; ENANTIOSELECTIVE ISOMERIZATION; ASYMMETRIC ISOMERIZATION; ALDEHYDES; KETONES in [Wang, Xuchao; Liu, Feipeng; Yan, Zijuan; Qiang, Qing; Huang, Wei; Rong, Zi-Qiang] Northwestern Polytech Univ, Frontiers Sci Ctr Flexible Elect FSCFE, Shaanxi Inst Flexible Elect SIFE, Xian 710072, Peoples R China; [Wang, Xuchao; Liu, Feipeng; Yan, Zijuan; Qiang, Qing; Huang, Wei; Rong, Zi-Qiang] Northwestern Polytech Univ, Shaanxi Inst Biomed Mat & Engn SIBME, Xian 710072, Peoples R China in 2021, Cited 82. The Name is 1,3-Dimethoxybenzene. Through research, I have a further understanding and discovery of 151-10-0. Recommanded Product: 1,3-Dimethoxybenzene

Herein, we report a redox-neutral Ni-catalyzed cross-coupling reaction of two readily available precursors to produce the corresponding ketones that are an important structural motif in numerous biologically active entities. By the use of a commercially available nickel/Triphos catalytic system, a range of easily accessible alkenyl primary alcohols and aryltriflates can be converted in a rapidly assembled fashion to valuable ketones with good yields and wide functional group tolerance. We also demonstrate the utility of this transformation by late-stage functionalization of a large set of complex molecules with good efficiency, which offers a distinct entry to more functionalized aromatic ketones.

About 1,3-Dimethoxybenzene, If you have any questions, you can contact Wang, XC; Liu, FP; Yan, ZJ; Qiang, Q; Huang, W; Rong, ZQ or concate me.. Recommanded Product: 1,3-Dimethoxybenzene

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

I found the field of Chemistry; Science & Technology – Other Topics very interesting. Saw the article Electrochemical TEMPO-catalyzed multicomponent C(sp(3))-H alpha-carbamoylation of free cyclic secondary amines published in 2019. Category: isothiazole, Reprint Addresses Grimaud, L (corresponding author), Sorbonne Univ, Ecole Normale Super, Lab Biomol, CNRS, 24 Rue Lhomond, F-75005 Paris, France.; Vitale, MR (corresponding author), PSL Univ Paris, Chim ParisTech, CNRS, Inst Chem Hlth & Life Sci, 11 Rue Pierre & Marie Curie, F-75005 Paris, France.. The CAS is 99-04-7. Through research, I have a further understanding and discovery of 3-Methylbenzoic acid

We report here an original electrosynthetic method allowing the straightforward C(sp(3))-H alpha-carbamoylation of free cyclic secondary amines. Based on a TEMPO-catalyzed indirect anodic oxidation and a multicomponent coupling, a wide variety of N-acyl alpha-carboxamides have been obtained under remarkably mild and sustainable reaction conditions.

About 3-Methylbenzoic acid, If you have any questions, you can contact Pan, N; Ling, J; Zapata, R; Pulicani, JP; Grimaud, L; Vitale, MR or concate me.. Category: isothiazole

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

Category: isothiazole. Zhao, MY; Barrado, AG; Sprenger, K; Golz, C; Mata, RA; Alcarazo, M in [Zhao, Mingyue; Barrado, Alejandro G.; Sprenger, Kristin; Golz, Christopher; Alcarazo, Manuel] Georg August Univ Gottingen, Inst Organ & Biomol Chem, D-37077 Gottingen, Germany; [Mata, Ricardo A.] Georg August Univ Gottingen, Inst Phys Chem, D-37077 Gottingen, Germany published Electrophilic Cyanative Alkenylation of Arenes in 2020, Cited 45. The Name is 1,3-Dimethoxybenzene. Through research, I have a further understanding and discovery of 151-10-0.

A variety of appropriately substituted internal alkynes were transformed into the corresponding cyano-substituted phenanthrenes, dihydronaphthalenes, and cyclohepta-1,3,5-trienes in moderate to excellent yields by treatment with imidazolium thiocyanate 1, which serves as an easy to handle [CN](+) precursor, in the presence of BCl3. The synthetic value of the method is additionally demonstrated by the transformation of the primarily obtained products into heavily substituted quinolines. Additionally, the dynamic properties of the prepared dibenzocyclohepta-1,3,5-trienes have been investigated.

About 1,3-Dimethoxybenzene, If you have any questions, you can contact Zhao, MY; Barrado, AG; Sprenger, K; Golz, C; Mata, RA; Alcarazo, M or concate me.. Category: isothiazole

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

In 2020 RSC ADV published article about SUPPORT VECTOR REGRESSION; DESCRIPTOR SELECTION; QSAR ANALYSIS; INFORMATION; PREDICTION; INHIBITORS; TOXICITY in [Li, Yuting; Dai, Zhijun; Cao, Dan; Chen, Yuan; Yuan, Zheming] Hunan Agr Univ, Hunan Engn & Technol Res Ctr Agr Big Data Anal &, Changsha 410128, Peoples R China; [Luo, Feng] Clemson Univ, Sch Comp, Clemson, SC USA; [Yuan, Zheming] Hunan Agr Univ, Hunan Prov Key Lab Crop Germplasm Innovat & Utili, Changsha 410128, Hunan, Peoples R China in 2020, Cited 39. The Name is 1,3-Dimethoxybenzene. Through research, I have a further understanding and discovery of 151-10-0. COA of Formula: C8H10O2

Quantitative structure-activity relationship models are used in toxicology to predict the effects of organic compounds on aquatic organisms. Common filter feature selection methods use correlation statistics to rank features, but this approach considers only the correlation between a single feature and the response variable and does not take into account feature redundancy. Although the minimal redundancy maximal relevance approach considers the redundancy among features, direct removal of the redundant features may result in loss of prediction accuracy, and cross-validation of training sets to select an optimal subset of features is time-consuming. In this paper, we describe the development of a feature selection method, Chi-MIC-share, which can terminate feature selection automatically and is based on an improved maximal information coefficient and a redundant allocation strategy. We validated Chi-MIC-share using three environmental toxicology datasets and a support vector regression model. The results show that Chi-MIC-share is more accurate than other feature selection methods. We also performed a significance test on the model and analyzed the single-factor effects of the reserved descriptors.

About 1,3-Dimethoxybenzene, If you have any questions, you can contact Li, YT; Dai, ZJ; Cao, D; Luo, F; Chen, Y; Yuan, ZM or concate me.. COA of Formula: C8H10O2

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

Authors Liu, Z; Bian, M; Ma, QQ; Zhang, Z; Du, HH; Wei, CX in MDPI published article about NF-KAPPA-B; ALZHEIMERS-DISEASE; A-BETA; INHIBITION; RECEPTOR; GSK-3-BETA; APOPTOSIS; RAGE; TRANSLOCATION; DEGRADATION in [Liu, Zheng; Bian, Ming; Ma, Qian-Qian; Du, Huan-Huan; Wei, Cheng-Xi] Inner Mongolia Univ Nationalities, Med Chem & Pharmacol Inst, Tongliao 028000, Peoples R China; [Bian, Ming; Ma, Qian-Qian; Du, Huan-Huan; Wei, Cheng-Xi] Inner Mongolia Key Lab Mongolian Med Pharmacol Ca, Tongliao 028000, Peoples R China; [Zhang, Zhuo] Yanbian Univ, Coll Pharmaceut Sci, Yanji 133022, Peoples R China in 2020, Cited 58. Recommanded Product: 99-04-7. The Name is 3-Methylbenzoic acid. Through research, I have a further understanding and discovery of 99-04-7

A series of novel synthetic substituted benzo[d]oxazole-based derivatives (5a-5v) exerted neuroprotective effects on beta-amyloid (A beta)-induced PC12 cells as a potential approach for the treatment of Alzheimer’s disease (AD). In vitro studies show that most of the synthesized compounds were potent in reducing the neurotoxicity of A beta(25-35)-induced PC12 cells at 5 mu g/mL. We found that compound 5c was non-neurotoxic at 30 mu g/mL and significantly increased the viability of A beta(25-35)-induced PC12 cells at 1.25, 2.5 and 5 mu g/mL. Western blot analysis showed that compound 5c promoted the phosphorylation of Akt and glycogen synthase kinase (GSK-3 beta) and decreased the expression of nuclear factor-kappa B (NF-kappa B) in A beta(25-35)-induced PC12 cells. In addition, our findings demonstrated that compound 5c protected PC12 cells from A beta(25-35)-induced apoptosis and reduced the hyperphosphorylation of tau protein, and decreased the expression of receptor for AGE (RAGE), beta-site amyloid precursor protein (APP)-cleaving enzyme 1 (BACE1), inducible nitric oxide synthase (iNOS) and Bcl-2-associated X protein/B-cell lymphoma 2 (Bax/Bcl-2) via Akt/GSK-3 beta/NF-kappa B signaling pathway. In vivo studies suggest that compound 5c shows less toxicity than donepezil in the heart and nervous system of zebrafish.

Recommanded Product: 99-04-7. About 3-Methylbenzoic acid, If you have any questions, you can contact Liu, Z; Bian, M; Ma, QQ; Zhang, Z; Du, HH; Wei, CX or concate me.

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

An article A simple method for the synthesis of sulfonic esters WOS:000550938700001 published article about ESTROGEN-RECEPTOR LIGANDS; CROSS-COUPLING REACTIONS; CONSTRAINED ANALOGS; PROTECTING GROUP; FACILE SYNTHESIS; ARYL TOSYLATES; ACID ESTERS; SULFONYLATION; CATALYST; PHENOLS in [Bhatthula, Bharath Kumar Goud; Kanchani, Janardhan Reddy; Arava, Veera Reddy] Suven Life Sci Ltd, Res & Dev Ctr, Hyderabad, India; [Kanchani, Janardhan Reddy; Marata Chenna Subbarao, Subha] Sri Krishnadevaraya Univ, Dept Chem, Anantapur, Andhra Pradesh, India in 2020, Cited 71. The Name is 1,3-Dimethoxybenzene. Through research, I have a further understanding and discovery of 151-10-0. Application In Synthesis of 1,3-Dimethoxybenzene

An efficient and simple approach for the direct synthesis of aryl and heteroaryl sulfonic esters was developed using DMS and DES as alkoxysulfonylation reagents. The reaction is operationally simple and scalable. This protocol does not require solvent, expensive catalysts, base, ligand additives or other reagents. A wide range of sulfonic esters were synthesized in moderate to good chemical yields. This method has the advantage of low cost, facile and tolerated a wide range of substrates.

Application In Synthesis of 1,3-Dimethoxybenzene. About 1,3-Dimethoxybenzene, If you have any questions, you can contact Bhatthula, BKG; Kanchani, JR; Arava, VR; Subbarao, SMC or concate me.

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

Category: isothiazole. Recently I am researching about CORRELATED MOLECULAR CALCULATIONS; INDEPENDENT CHEMICAL-SHIFTS; PI-ELECTRON DELOCALIZATION; GAUSSIAN-BASIS SETS; THEORETICAL CALCULATION; IONIZATION-POTENTIALS; OVERTONE SPECTROSCOPY; QUANTITATIVE CONCEPT; AB-INITIO; RESONANCE, Saw an article supported by the SERB from the Department of Science and Technology (DST) Government of India, New Delhi [EMR/2016/001090]; UGC, Government of IndiaUniversity Grants Commission, India; DST, Government of IndiaDepartment of Science & Technology (India); U.S. National Science FoundationNational Science Foundation (NSF) [CHE-1661604]; IITK. Published in AMER INST PHYSICS in MELVILLE ,Authors: Dey, S; Manogaran, D; Manogaran, S; Schaefer, HF. The CAS is 99-04-7. Through research, I have a further understanding and discovery of 3-Methylbenzoic acid

Benzene and 23 monosubstituted and 32 disubstituted derivatives of benzene were optimized for minimum energy structures using the B3LYP/cc-pVTZ method. The force fields of all the compounds were evaluated at their optimized geometries using the same method and basis set. In order to understand the effect of substitution(s) on the aromaticity of benzene, the aromaticity index based on interaction coordinates (AIBIC) values were computed for each and the change from the benzene value was obtained. This difference, the substituent effect based on interaction coordinates (SEBIC), quantifies the effect of the substituent on the aromaticity of benzene ring satisfactorily. It is found that the AIBIC of disubstituted benzenes (XC6H4Y) could be predicted well by adding the respective SEBIC(C6H5X) and SEBIC(C6H5Y) values to the AIBIC of benzene. The projected force fields of the meta and para fragments of the monosubstituted benzenes when chosen properly contain the information about the directing influence of the substituent in terms of the electron density based on interaction coordinates (EDBIC). When the EDBIC(para) > EDBIC(meta) relative to benzene, the substituent is ortho-para directing, while when the reverse is true, it is meta directing. The effect of conformational changes on aromaticity has been studied using aminophenols and dihydroxybenzenes. The additivity rule and the EDBIC concept work adequately well in that the methods can have several useful practical applications that will benefit various areas of science. A good understanding of the substituent effects and the ability to predict them should add a new dimension to the applications of AIBIC.

Category: isothiazole. About 3-Methylbenzoic acid, If you have any questions, you can contact Dey, S; Manogaran, D; Manogaran, S; Schaefer, HF or concate me.

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

COA of Formula: C8H10O2. In 2019 CHEM-EUR J published article about PALLADIUM-CATALYZED CYANATION; TRANSITION-METAL; ARYL HALIDES; BOND ACTIVATION in [Liu, Luo-Yan; Yu, Jin-Quan] Scripps Res Inst, Dept Chem, 10550 North Torrey Pines Rd, La Jolla, CA 92037 USA; [Yeung, Kap-Sun] Bristol Myers Squibb Res & Dev, Discovery Chem, 5 Res Pkwy, Wallingford, CT 06492 USA in 2019, Cited 33. The Name is 1,3-Dimethoxybenzene. Through research, I have a further understanding and discovery of 151-10-0.

This article reports the first example of a 2-pyridone accelerated non-directed C-H cyanation with an arene as the limiting reagent. This protocol is compatible with a broad scope of arenes, including advanced intermediates, drug molecules, and natural products. A kinetic isotope experiment (k(H)/k(D) =4.40) indicates that the C-H bond cleavage is the rate-limiting step. Also, the reaction is readily scalable, further showcasing the synthetic utility of this method.

COA of Formula: C8H10O2. About 1,3-Dimethoxybenzene, If you have any questions, you can contact Liu, LY; Yeung, KS; Yu, JQ or concate me.

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