Category: isothiazole

An article Decarbonylative Sonogashira Cross-Coupling of Carboxylic Acids WOS:000664333200043 published article about CATALYZED HECK; ALKYNYLATION in [Liu, Chengwei; Szostak, Michal] Rutgers State Univ, Dept Chem, Newark, NJ 07102 USA in 2021, Cited 33. The Name is 3-Methylbenzoic acid. Through research, I have a further understanding and discovery of 99-04-7. Quality Control of 3-Methylbenzoic acid

Decarbonylative Sonogashira cross-coupling of carboxylic acids by palladium catalysis is presented. The carboxylic acid is activated in situ by the formation of a mixed anhydride and further decarbonylates using the Pd(OAc)(2)/Xantphos system to provide an aryl-Pd intermediate, which is intercepted by alkynes to access the traditional Pd(0)/(II) cycle using carboxylic acids as ubiquitous and orthogonal electrophilic cross-coupling partners. The methodology efficiently constructs new C(sp(2))-C(sp) bonds and can be applied to the derivatization of pharmaceuticals. Mechanistic studies give support to decarbonylation preceding transmetalation in this process.

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

An article Oxidation Mechanisms of the UV/Free Chlorine Process: Kinetic Modeling and Quantitative Structure Activity Relationships WOS:000465190300033 published article about MONTE-CARLO-SIMULATION; DRINKING-WATER; ORGANIC MICROPOLLUTANTS; UV/CHLORINE TREATMENT; UV/H2O2 PROCESSES; DEGRADATION; UV; TRANSFORMATION; PHOTOLYSIS; PATHWAYS in [Zhou, Shiqing; Sun, Julong; Shi, Zhou] Hunan Univ, Coll Civil Engn, Key Lab Bldg Safety & Energy Efficiency, Minist Educ,Dept Water Engn & Sci, Changsha 410082, Hunan, Peoples R China; [Zhang, Weiqiu; Meng, Xiaoyang; Luo, Jinming; Crittenden, John C.] Georgia Inst Technol, Sch Civil & Environm Engn, Atlanta, GA 30332 USA; [Zhang, Weiqiu; Meng, Xiaoyang; Luo, Jinming; Crittenden, John C.] Georgia Inst Technol, Brook Byers Inst Sustainable Syst, Atlanta, GA 30332 USA; [Zhu, Shumin] Tongji Univ, Coll Environm Sci & Engn, Shanghai 200092, Peoples R China; [Li, Ke] Univ Georgia, Coll Engn, Athens, GA 30602 USA; [Zhou, Dandan] Northeast Normal Univ, Sch Environm, Changchun 130024, Jilin, Peoples R China in 2019.0, Cited 59.0. The Name is 3-Methylbenzoic acid. Through research, I have a further understanding and discovery of 99-04-7. Computed Properties of C8H8O2

Recently, the UV/free chlorine process has gained attention as a promising technology for destroying refractory organic contaminants in the aqueous phase. We have developed a kinetic model based on first-principles to describe the kinetics and mechanisms of the oxidation of organic contaminants in the UV/free chlorine process. Substituted benzoic acid compounds (SBACs) were chosen as the target parent contaminants. We determined the second-order rate constants between SBACs and reactive chlorine species (RCS; including Cl center dot, Cl-2(-)center dot and ClO center dot) by fitting our model to the experimental results. We then predicted the concentration profiles of SBACs under various operational conditions. We analyzed the kinetic data and predicted concentration profiles of reactive radicals (HO center dot and RCS), we found that ClO center dot was the dominant radicals for SBACs destruction. In addition, we established quantitative structure activity relationships (QSARs) that can help predict the second-order rate constants for SBACs destruction by each type of reactive radicals using SBACs Hammett constants. Our first-principles-based kinetic model has been verified using experimental data. Our model can facilitate a design for the most cost-effective application of the UV/free chlorine process. For example, our model can determine the optimum chlorine dosage and UV light intensity that result in the lowest energy consumption.

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

An article Entry to 1,2,3,4-Tetrasubstituted Arenes through Addressing the Meta Constraint in the Palladium/Norbornene Catalysis WOS:000514255300043 published article about ALKYLATION-ALKENYLATION REACTIONS; C-H FUNCTIONALIZATION; EFFICIENT SYNTHESIS; ARYL IODIDES; ARYLATION; PSYMBERIN; ACYLATION; ROUTE in [Wang, Jianchun; Zhou, Yun; Xu, Xiaolong; Dong, Guangbin] Univ Chicago, Dept Chem, 5735 S Ellis Ave, Chicago, IL 60637 USA; [Zhou, Yun] China Agr Univ, Dept Appl Chem, Beijing 100193, Peoples R China; [Xu, Xiaolong] ShanghaiTech Univ, Sch Phys Sci & Technol, Shanghai 201210, Peoples R China; [Liu, Peng] Univ Pittsburgh, Dept Chem, Pittsburgh, PA 15260 USA in 2020, Cited 51. Product Details of 93-97-0. The Name is Benzoic anhydride. Through research, I have a further understanding and discovery of 93-97-0

Arenes with four different contiguous substituents, i.e. 1,2,3,4-tetrasubstituted arenes, are commonly found in bioactive compounds, but they are nontrivial to access via conventional methods. Through addressing the meta constraint in the palladium/norbornene (Pd/NBE) cooperative catalysis, which is the difficulty of tolerating a sizable meta substituent in aryl halide substrates, here a modular and regioselective approach is realized for preparing 1,2,3,4-tetrasubstituted arenes. One key is the use of a C2-amide-substituted NBE, and a combined experimental and computational study reveals its role in promoting the NBE insertion and the ortho C-H metalation steps. The scope is broad: a variety of electrophiles and nucleophiles could be introduced to the ortho and ipso positions, respectively, with 1,4-disubstituted aryl halides, leading to diverse unsymmetrical contiguous tetrasubstituted arenes. Application of this approach has been demonstrated in streamlined syntheses of several bioactive compounds.

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

I found the field of Chemistry very interesting. Saw the article Rh(II)-Catalyzed C-H Alkylation of Benzylamines with Unactivated Alkenes: The Influence of Acid on Linear and Branch Selectivity published in 2021. Formula: C7H4F2O2, Reprint Addresses Chatani, N (corresponding author), Osaka Univ, Fac Engn, Dept Appl Chem, Suita, Osaka 5650871, Japan.. The CAS is 385-00-2. Through research, I have a further understanding and discovery of 2,6-Difluorobenzoic acid

The Rh-catalyzed C-H alkylation of benzylamine derivatives with unactivated 1-alkenes that proceeds via a picolinamide directing group is reported. The crucial role of an acid additive in this transformation is confirmed. Aromatic acids showed high linear selectivity, and aliphatic acids provided branched alkylation products as the major product. The reaction has a broad scope for benzylamines and alkenes. Deuterium labeling experiments suggest that a Rh-carbene intermediate is involved in the case of linear product formation. A different reaction pathway, however, appears to be involved in the case of branched alkylation products, and this pathway also appeared to be a minor pathway in linear-selective reactions.

Formula: C7H4F2O2. Bye, fridends, I hope you can learn more about C7H4F2O2, If you have any questions, you can browse other blog as well. See you lster.

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

Authors Abdel-Mohsen, HT; Abd El-Meguid, EA; El Kerdawy, AM; Mahmoud, AEE; Ali, MM in WILEY-V C H VERLAG GMBH published article about PROTEIN-KINASE INHIBITORS; DRUG-RESISTANCE; RECEPTOR 2; GROWTH; BENZOTHIAZOLES; ANGIOGENESIS; DISCOVERY; VEGFR-2; POTENT; MECHANISMS in [Abdel-Mohsen, Heba T.; Abd El-Meguid, Eman A.] Natl Res Ctr, Div Pharmaceut & Drug Ind Res, Dept Chem Nat & Microbial Prod, El Buhouth St,POB 12622, Cairo, Egypt; [El Kerdawy, Ahmed M.] Cairo Univ, Fac Pharm, Dept Pharmaceut Chem, Cairo, Egypt; [El Kerdawy, Ahmed M.] New Giza Univ, Fac Pharm, Dept Pharmaceut Chem, Cairo, Egypt; [Mahmoud, Abeer E. E.; Ali, Mamdouh M.] Natl Res Ctr, Div Genet Engn & Biotechnol, Dept Biochem, Cairo, Egypt in 2020.0, Cited 75.0. HPLC of Formula: C9H10O3. The Name is 2,5-Dimethoxybenzaldehyde. Through research, I have a further understanding and discovery of 93-02-7

A novel series of 2-arylbenzothiazoles 9, 10, and 12 were designed and synthesized as VEGFR-2/FGFR-1/PDGFR-beta multiangiokinase inhibitors targeting breast cancer. Structural elongation of the known 2-phenylbenzothiazole scaffold (type I protein kinase inhibitor [PKI]), was carried out to afford series of type II PKIs 9, 10, and 12. Compounds 9d, 9f, 9i, and 9k exhibited potent multikinase inhibitory activity with IC50 values of 0.19, 0.18, 0.17, and 0.13 mu M, respectively, against VEGFR-2; IC50 values of 0.28, 0.37, 0.19, and 0.27 mu M, respectively, against FGFR-1; and IC50 values of 0.07, 0.04, 0.08, and 0.14 mu M, respectively, against PDGFR-beta. Moreover, the synthesized benzothiazoles demonstrated promising cytotoxic activity against the MCF-7 cell line. The most potent benzothiazoles 9d and 9i exhibited IC50 values of 7.83 and 6.58 mu M, respectively, on the MCF-7 cell line in comparison to sorafenib (III), which showed IC50 = 4.33 mu M. Additionally, 9d and 9i showed VEGFR-2 inhibitory activity in MCF-7 cells of 81% and 83% when compared with sorafenib (III), which showed 88% inhibition. Molecular docking of the designed compounds in the VEGFR-2 and FGFR-1 active sites showed the accommodation of the 2-phenylbenzothiazole moiety, as reported, in the hinge region of the receptor tyrosine kinase (RTK)-binding site, while the amide moiety is involved in hydrogen bond interactions with the key amino acids in the gate area; this in turn directs the aryl group to the hydrophobic allosteric back pocket of the RTKs in a type II-like binding mode. The synthesized benzothiazoles showed satisfactory ADME properties for further optimization in drug discovery.

Welcome to talk about 93-02-7, If you have any questions, you can contact Abdel-Mohsen, HT; Abd El-Meguid, EA; El Kerdawy, AM; Mahmoud, AEE; Ali, MM or send Email.. HPLC of Formula: C9H10O3

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

Cebular, K; Bozic, BD; Stavber, S in [Cebular, Klara; Bozic, Bojan D.; Stavber, Stojan] Jozef Stefan Inst, Dept Phys & Organ Chem, Jamova 39, Ljubljana 1000, Slovenia; [Cebular, Klara; Stavber, Stojan] Jozef Stefan Int Postgrad Sch, Jamova 39, Ljubljana 1000, Slovenia; [Bozic, Bojan D.] Univ Belgrade, Inst Physiol & Biochem, Fac Biol, Studentski Trg 16, Belgrade 11000, Serbia published 1,3-Dibromo-5,5-dimethylhydantoin as a Precatalyst for Activation of Carbonyl Functionality in 2019, Cited 61. SDS of cas: 99-04-7. The Name is 3-Methylbenzoic acid. Through research, I have a further understanding and discovery of 99-04-7.

Activation of carbonyl moiety is one of the most rudimentary approaches in organic synthesis and is crucial for a plethora of industrial-scale condensation reactions. In esterification and aldol condensation, which represent two of the most important reactions, the susceptibility of the carbonyl group to nucleophile attack allows the construction of a variety of useful organic compounds. In this context, there is a constant need for development of and improvement in the methods for addition-elimination reactions via activation of carbonyl functionality. In this paper, an advanced methodology for the direct esterification of carboxylic acids and alcohols, and for aldol condensation of aldehydes using widely available, inexpensive, and metal-free 1,3-dibromo-5,5-dimethylhydantoin under neat reaction conditions is reported. The method is air- and moisture-tolerant, allowing simple synthetic and isolation procedures for both reactions presented in this paper. The reaction pathway for esterification is proposed and a scale-up of certain industrially important derivatives is performed.

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

An article Two Ligands Transfer from Ag to Pd: En Route to (SIPr)Pd(CF2H)(X) and Its Application in One-Pot C-H Borylation/Difluoromethylation WOS:000518875700067 published article about PALLADIUM-CATALYZED DIFLUOROMETHYLATION; CROSS-COUPLING REACTION; ARYL HALIDES; BROMIDES; FUNCTIONALIZATION; ACTIVATION; CHLORIDES; ACIDS in [Zhao, Haiwei; Shen, Qilong] Chinese Acad Sci, Univ Chinese Acad Sci, Key Lab Organofluorine Chem, Ctr Excellence Mol Synth,Shanghai Inst Organ Chem, Shanghai 200032, Peoples R China; [Herbert, Simon] Bayer AG, Res & Dev, Pharmaceut, D-13342 Berlin, Germany; [Kinzel, Tom] Bayer Pharmaceut, Bayer Ctr, Open Innovat Ctr China, Beijing 100020, Peoples R China; [Zhang, Wei] Univ Massachusetts, Ctr Green Chem, Boston, MA 02125 USA; [Zhang, Wei] Univ Massachusetts, Dept Chem, Boston, MA 02125 USA in 2020, Cited 53. The Name is 1,3-Dimethoxybenzene. Through research, I have a further understanding and discovery of 151-10-0. Recommanded Product: 151-10-0

A process for the concurrent transfer of both the NHC ligand and the difluoromethyl group from [(SIPr)Ag-(CF2H)] to PdX2 (X = Cl, OAc, and OPiv) for the preparation of [(SIPr)Pd(CF2H)X] complexes is described. These complexes were air-stable and easily underwent transmetalation with aryl pinacol boronate/reductive elimination to generate ArCF2H in high yields. Based on this discovery, the first one-pot C-H borylation and difluoromethylation process for the preparation of difluoromethylated (hetero)arenes was developed.

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

An article An efficient protocol for synthesis of novel polyheterocyclic chromeno pyrimido[1,2-b]indazolone derivatives using [Et3NH][HSO4] as a reusable catalyst under solvent-free conditions WOS:000498291800006 published article about ONE-POT SYNTHESIS; MULTICOMPONENT SYNTHESIS; INDAZOLE DERIVATIVES; GREEN SYNTHESIS; CONSTRUCTION in [Jadhav, Amol Maruti; Balwe, Sandip Gangadhar; Jeong, Yeon Tae] Pukyong Natl Univ, Dept Image Sci & Engn, Busan 608737, South Korea in 2019.0, Cited 33.0. The Name is 2,5-Dimethoxybenzaldehyde. Through research, I have a further understanding and discovery of 93-02-7. Application In Synthesis of 2,5-Dimethoxybenzaldehyde

A convenient and highly efficient method for the synthesis of novel polyheterocyclic chromeno pyrimido [1,2-b]indazolone derivatives via a three-component condensation of 1H-indazol-3-amine, aldehydes and 4-hydroxycoumarin catalyzed by Bronsted acid ionic liquid [Et3NH]HSO4] under solvent-free reaction conditions is presented. This ionic liquid is air and water stable and easyto prepare from amine and acid. The main advantages of this protocol includes short reaction time, excellent yield, easy work-up, operational simplicity, a wide range of functional group tolerance and column chromatography-free method. The catalyst can be recovered and reused for at least four runs without any significant impact on the product yields. (C) 2019 Elsevier Ltd. All rights reserved.

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

An article Rh(II)-Catalyzed C-H Alkylation of Benzylamines with Unactivated Alkenes: The Influence of Acid on Linear and Branch Selectivity WOS:000661126700036 published article about AROMATIC AMIDES; CATALYZED ALKYLATION; BONDS; DERIVATIVES in [Das, Amrita; Chatani, Naoto] Osaka Univ, Fac Engn, Dept Appl Chem, Suita, Osaka 5650871, Japan in 2021, Cited 47. The Name is 2,6-Difluorobenzoic acid. Through research, I have a further understanding and discovery of 385-00-2. Computed Properties of C7H4F2O2

The Rh-catalyzed C-H alkylation of benzylamine derivatives with unactivated 1-alkenes that proceeds via a picolinamide directing group is reported. The crucial role of an acid additive in this transformation is confirmed. Aromatic acids showed high linear selectivity, and aliphatic acids provided branched alkylation products as the major product. The reaction has a broad scope for benzylamines and alkenes. Deuterium labeling experiments suggest that a Rh-carbene intermediate is involved in the case of linear product formation. A different reaction pathway, however, appears to be involved in the case of branched alkylation products, and this pathway also appeared to be a minor pathway in linear-selective reactions.

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

Application In Synthesis of Benzoic anhydride. Authors Wang, L; Wang, YY; Tao, Y; Zhang, NN; Li, SB in ELSEVIER published article about in [Wang, Liang; Tao, Yu; Zhang, Nana; Li, Shubai] Changzhou Vocat Inst Engn, Sch Chem & Pharmaceut Engn, Changzhou 213164, Peoples R China; [Wang, Yaoyao] Changzhou Univ, Sch Petrochem Engn, Jiangsu Key Lab Adv Catalyt Mat & Technol, Changzhou 213164, Peoples R China in 2021, Cited 30. The Name is Benzoic anhydride. Through research, I have a further understanding and discovery of 93-97-0

Nickel-catalyzed reduction of (het)arenecarboxylic acids with hydrosilanes in the presence of dimethyl dicarbonate as the activator affords the corresponding aldehydes. The role of the activator is the conversion of the acids into their anhydrides undergoing C?O cleavage. The good yields were achieved in case of substrates bearing electron-donating and electron-neutral groups.

Application In Synthesis of Benzoic anhydride. Bye, fridends, I hope you can learn more about C14H10O3, If you have any questions, you can browse other blog as well. See you lster.

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