Tag: M.W=100-150

I found the field of Chemistry very interesting. Saw the article Cooperativity within the catalyst: alkoxyamide as a catalyst for bromocyclization and bromination of (hetero)aromatics published in 2020. Category: isothiazole, Reprint Addresses Maji, MS (corresponding author), Indian Inst Technol Kharagpur, Dept Chem, Kharagpur 721302, W Bengal, India.. The CAS is 151-10-0. Through research, I have a further understanding and discovery of 1,3-Dimethoxybenzene

Alkoxyamide has been reported as a catalyst for the activation ofN-bromosuccinimide to perform bromocyclization and bromination of a wide range of substrates in a lipophilic solvent, where adequate suppression of the background reactions was observed. The key feature of the active site is the alkoxy group attached to the sulfonamide moiety, which facilitates the acceptance as well as the delivery of bromonium species from the bromine source to the substrates.

Category: isothiazole. About 1,3-Dimethoxybenzene, If you have any questions, you can contact Mondal, H; Sk, MR; Maji, MS or concate me.

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

An article Convergent synthesis of diptoindonesin G WOS:000456353000020 published article about FRIEDEL-CRAFTS ACYLATION; CARBOXYLIC-ACIDS; OXIDATION; ARENES; ALPHA in [Kim, Ikyon] Yonsei Univ, Coll Pharm, 85 Songdogwahak Ro, Incheon 21983, South Korea; Yonsei Univ, Yonsei Inst Pharmaceut Sci, 85 Songdogwahak Ro, Incheon 21983, South Korea in 2019, Cited 42. Formula: C8H10O2. The Name is 1,3-Dimethoxybenzene. Through research, I have a further understanding and discovery of 151-10-0

A convergent and scalable synthetic route to a tetracyclic oligostilbenoid natural product, diptoindonesin G, is described where Suzuki-Miyaura cross-coupling and intramolecular Friedel-Crafts acylation were employed to construct the central C ring of diptoindonesin G. Two fragments for cross-coupling reaction were readily synthesized with similar efficiency. (C) 2018 Elsevier Ltd. All rights reserved.

Formula: C8H10O2. About 1,3-Dimethoxybenzene, If you have any questions, you can contact Singh, DK; Kim, I or concate me.

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

HPLC of Formula: C8H8O2. In 2020.0 ORG LETT published article about HETEROBICYCLIC ALKENES; BOND ACTIVATION; AROMATIC KETONES; CARBOXYLIC-ACIDS; BENZOIC-ACIDS; 4+2 ANNULATION; ARYL KETONES; FUNCTIONALIZATION; ARYLATION; PALLADIUM in [Zhang, Keyang; Khan, Ruhima; Chen, Jingchao; Zhang, Xuexin; Gao, Yang; Zhou, Yongyun; Li, Kangkui; Tian, Youxian; Fan, Baomin] Yunnan Minzu Univ, Key Lab Chem Ethn Med Resources, Kunming 650500, Yunnan, Peoples R China; [Zhou, Yongyun; Fan, Baomin] Inst Yunnan Minzu Univ, Sch Chem & Environm, Kunming 650500, Yunnan, Peoples R China in 2020.0, Cited 101.0. The Name is 3-Methylbenzoic acid. Through research, I have a further understanding and discovery of 99-04-7.

An efficient method for the directing group controlled rhodium-catalyzed addition reaction of oxa/azabicylic alkenes with aromatic ketones and benzoic acids has been developed. The ketones and benzoic acids afforded different addition products when reacted with oxa/azabicyclic alkenes. The reaction between ketones and azabenzonorbornadienes furnished the ring-opening addition products. The reaction between benzoic acids and aza/oxabicyclic alkenes proceeded in the absence of silver salt, giving the 1:2 hydroarylation products in yields up to 96%.

About 3-Methylbenzoic acid, If you have any questions, you can contact Zhang, KY; Khan, R; Chen, JC; Zhang, XX; Gao, Y; Zhou, YY; Li, KK; Tian, YX; Fan, BM or concate me.. HPLC of Formula: C8H8O2

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

Dai, ZH; Zhu, J; Wang, JH; Su, WB; Yang, FL; Zhou, QF in [Dai, Zonghao; Zhu, Jin; Wang, Jiahua; Su, Wenbo; Yang, Fulai; Zhou, Qingfa] China Pharmaceut Univ, Dept Organ Chem, State Key Lab Nat Med, Nanjing 210009, Jiangsu, Peoples R China published Phosphine-Catalyzed Chemoselective [4+3] Cycloaddition of Alminine Esters and beta ‘-acetoxy Allenoates for Divergent Synthesis of Azepines in 2020.0, Cited 96.0. Recommanded Product: 3-Methylbenzoic acid. The Name is 3-Methylbenzoic acid. Through research, I have a further understanding and discovery of 99-04-7.

Text. A general method for the synthesis of structural diversity and complexity of azepines from aldimine esters and beta ‘-acetoxy allenoates is reported. Under phosphine catalysis, a [4+3] cycloaddition for the formation of 1,3-dihydro-2H-azepine-2,2,4-tricarboxylates was achieved with broad substrate scope under mild reactions. A switchable process was given and a variety of important 2,3-dihydrochromeno[4,3-b]azepin-6(1H)-ones were selectively formed when the reaction was performed in the presence of Cs2CO3 and PPh3, which involved an intramolecular ester group migration and subsequent lactonization of 1,3-dihydro-2H-azepine-2,2,4-tricarboxylates. Besides easy handle process, high synthetic value of resulting products, it is worth to note that this work showed the novel example of 1,5-ethoxycarbonyl migration.

About 3-Methylbenzoic acid, If you have any questions, you can contact Dai, ZH; Zhu, J; Wang, JH; Su, WB; Yang, FL; Zhou, QF or concate me.. Recommanded Product: 3-Methylbenzoic acid

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

An article New Group Interaction Parameters of the UNIFAC (Dortmund) Model: Aromatic Dicarboxylic Acid Isomer and Methyl Benzoic Acid Isomer Binaries WOS:000605183600025 published article about SOLID-LIQUID EQUILIBRIA; ACETIC-ACID; PLUS WATER; TEREPHTHALIC ACID; PHTHALIC-ACID; TOLUIC ACID; SOLUBILITIES; MIXTURES; SOLVENTS; SYSTEMS in [Shi, Sile; Shen, Zhipeng; Guan, Aocong; Yang, Lintao; Yang, Weijun] Hunan Univ, Coll Chem & Chem Engn, Changsha 410082, Peoples R China; [Luo, Weiping] Hunan Univ, Coll Chem & Chem Engn, Minist Educ, Adv Catalyt Engineer Res Ctr, Changsha 410082, Peoples R China in 2020, Cited 29. Category: isothiazole. The Name is 3-Methylbenzoic acid. Through research, I have a further understanding and discovery of 99-04-7

In this work, with the available solid-liquid equilibrium (SLE) data of six aromatic carboxylic acids, aromatic dicarboxylic acid isomers (terephthalic acid (TPA), isophthalic acid (IPA), and phthalic acid (PA)), and methyl benzoic acid isomers (m-toluic acid (m-TA), o-toluic acid (o-TA), and p-toluic acid (p-TA)) in acetic acid (HOAc) + water (H2O) solvent mixtures, the relationship between the molecular structure of the above aromatic carboxylic acids and the solubility of them in HOAc + H2O solvent mixtures is discussed. It could be found that among the aromatic dicarboxylic acid isomers and methyl benzoic acid isomers, TPA and p-TA have the lowest solubility in the same solvent and temperature, respectively. Meanwhile, three new groups, p-ArCOOH, m-ArCOOH, and o-ArCOOH, in the UNIFAC (Dortmund) model were first defined to distinguish the influence of the positions of ArCOOH on the thermodynamic properties of aromatic carboxylic acid isomers, which indicates that ArCOOH is located in the para, meta, and ortho positions of the ArCOOH or ArCH3 groups, respectively. Then, the interaction parameters of ArCOOH, p-ArCOOH, m-ArCOOH, and o-ArCOOH with other involved groups in the solvent systems are first obtained by regressing these available SLE data. By using the new defined group, the UNIFAC (Dortmund) model was used to correlate SLE data for the above ternary systems, and trimesic acid + HOAc + H2O systems agree with the experimentally measured results satisfactorily.

Category: isothiazole. About 3-Methylbenzoic acid, If you have any questions, you can contact Luo, WP; Shi, SL; Shen, ZP; Guan, AC; Yang, LT; Yang, WJ or concate me.

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

Kalita, G; Paul, D; Khatua, S; Chatterjee, PN in [Kalita, Gitumoni; Paul, Dipankar; Chatterjee, Paresh Nath] Natl Inst Technol Meghalaya, Dept Chem, Bijni Complex, Shillong 793003, Meghalaya, India; [Khatua, Snehadrinarayan] North Eastern Hill Univ, Dept Chem, Ctr Adv Studies, Shillong 793022, Meghalaya, India published para-Toluenesulfonic Acid Catalyzed Synthesis of Indenes a Tandem Friedel-Crafts Alkylation/Hydroarylation of Tertiary Propargylic Alcohols with Electron-Rich Arenes in 2020, Cited 40. Recommanded Product: 1,3-Dimethoxybenzene. The Name is 1,3-Dimethoxybenzene. Through research, I have a further understanding and discovery of 151-10-0.

A simple protocol to synthesize indenes efficiently by PTSA catalyzed tandem Friedel-Crafts alkylation/hydroarylation of tertiary propargylic alcohol with electron-rich arenes is described. The desired indenes were obtained regioselectively in good to very good yields under mild reaction conditions. The allene intermediate was isolated to get an insight into the mechanistic pathway of the indene forming reaction. [GRAPHICS] .

Recommanded Product: 1,3-Dimethoxybenzene. About 1,3-Dimethoxybenzene, If you have any questions, you can contact Kalita, G; Paul, D; Khatua, S; Chatterjee, PN or concate me.

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

Authors Kalita, G; Paul, D; Khatua, S; Chatterjee, PN in SPRINGER published article about CASCADE REACTION; ALLENES in [Kalita, Gitumoni; Paul, Dipankar; Chatterjee, Paresh Nath] Natl Inst Technol Meghalaya, Dept Chem, Bijni Complex, Shillong 793003, Meghalaya, India; [Khatua, Snehadrinarayan] North Eastern Hill Univ, Dept Chem, Ctr Adv Studies, Shillong 793022, Meghalaya, India in 2020, Cited 40. Formula: C8H10O2. The Name is 1,3-Dimethoxybenzene. Through research, I have a further understanding and discovery of 151-10-0

A simple protocol to synthesize indenes efficiently by PTSA catalyzed tandem Friedel-Crafts alkylation/hydroarylation of tertiary propargylic alcohol with electron-rich arenes is described. The desired indenes were obtained regioselectively in good to very good yields under mild reaction conditions. The allene intermediate was isolated to get an insight into the mechanistic pathway of the indene forming reaction. [GRAPHICS] .

About 1,3-Dimethoxybenzene, If you have any questions, you can contact Kalita, G; Paul, D; Khatua, S; Chatterjee, PN or concate me.. Formula: C8H10O2

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

Recently I am researching about BETA-SCISSION REACTIONS; MULTIREFERENCE PERTURBATION-THEORY; CENTERED RADICAL-ADDITION; REACTION-RATE PREDICTION; BENZENE PLUS OH; ACTIVATION-ENERGIES; BIO-OILS; REACTION-MECHANISM; ANISOLE PYROLYSIS; THERMAL-CRACKING, Saw an article supported by the The Computational Chemistry Consortium (C3); C3 consortium. Published in ROYAL SOC CHEMISTRY in CAMBRIDGE ,Authors: Maffei, LP; Faravelli, T; Cavallotti, C; Pelucchi, M. The CAS is 151-10-0. Through research, I have a further understanding and discovery of 1,3-Dimethoxybenzene. Product Details of 151-10-0

The recent interest in bio-oils combustion and the key role of mono-aromatic hydrocarbons (MAHs) in existing kinetic frameworks, both in terms of poly-aromatic hydrocarbons growth and surrogate fuels formulation, motivates the current systematic theoretical investigation of one of the relevant reaction classes in MAHs pyrolysis and oxidation:ipsosubstitution by hydrogen. State-of-the-art theoretical methods and protocols implemented in automatized computational routines allowed to investigate 14 different potential energy surfaces involving MAHs with hydroxy and methyl single (phenol and toluene) and double (o-,m-,p-C6H4(OH)(2),o-,m-,p-CH3C6H4OH, ando-,m-,p-C6H4(CH3)(2)) substituents, providing rate constants for direct implementation in existing kinetic models. The accuracy of the adopted theoretical method was validated by comparison of the computed rate constants with the available literature data. Systematic trends in energy barriers, pre-exponential factors, and temperature dependence of the Arrhenius parameters were found, encouraging the formulation of rate rules for ipsosubstitutions on MAHs. The rules here proposed allow to extrapolate from a reference system the necessary activation energy and pre-exponential factor corrections for a large number of reactions from a limited set of electronic structure calculations. We were able to estimate rate constants for other 63 ipsoaddition-elimination reactions on di-substituted MAHs, reporting in total 75 rate constants for ipsosubstitution reactionso-,m-,p-R ‘ C6H4R + -> C6H5R + ‘, with R,R ‘ = OH/CH3/OCH3/CHO/C2H5, in the 300-2000 K range. Additional calculations performed for validation showed that the proposed rate rules are in excellent agreement with the rate constants calculated using the full computational protocol in the 500-2000 K range, generally with errors below 20%, increasing up to 40% in a few cases. The main results of this work are the successful application of automatized electronic structure calculations for the derivation of accurate rate constants for ipsosubstitution reactions on MAHs, and an efficient and innovative approach for rate rules formulation for this reaction class.

Product Details of 151-10-0. About 1,3-Dimethoxybenzene, If you have any questions, you can contact Maffei, LP; Faravelli, T; Cavallotti, C; Pelucchi, M or concate me.

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

In 2019 ANGEW CHEM INT EDIT published article about TRANSITION-METAL CATALYSIS; NONCOVALENT INTERACTIONS; ARENES; LIGAND; ACTIVATION; HYDROFORMYLATION; CONSTRUCTION; HETEROARENES; INSIGHTS; PHENOLS in [Bai, Shao-Tao; Bheeter, Charles B.; Reek, Joost N. H.] Univ Amsterdam, Vant Hoff Inst Mol Sci HIMS, Supramol & Homogeneous Catalysis Grp, Sci Pk 904, NL-1098 XH Amsterdam, Netherlands in 2019, Cited 76. The Name is 3-Methylbenzoic acid. Through research, I have a further understanding and discovery of 99-04-7. Category: isothiazole

Reported is an iridium catalyst for ortho-selective C-H borylation of challenging secondary aromatic amide substrates, and the regioselectivity is controlled by hydrogen-bond interactions. The BAIPy-Ir catalyst forms three hydrogen bonds with the substrate during the crucial activation step, and allows ortho-C-H borylation with high selectivity. The catalyst displays unprecedented ortho selectivities for a wide variety of substrates that differ in electronic and steric properties, and the catalyst tolerates various functional groups. The regioselective C-H borylation catalyst is readily accessible and converts substrates on gram scale with high selectivity and conversion.

Category: isothiazole. About 3-Methylbenzoic acid, If you have any questions, you can contact Bai, ST; Bheeter, CB; Reek, JNH or concate me.

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

Category: isothiazole. In 2020 BIOORG CHEM published article about NATURAL-PRODUCT in [Xiao, Shengnan; Wang, Xude; Xu, Lei; Li, Tao; Cao, Jiaqing; Zhao, Yuqing] Shenyang Pharmaceut Univ, Sch Funct Food & Wine, Shenyang 110016, Peoples R China; [Zhao, Yuqing] Shenyang Pharmaceut Univ, Minist Educ, Key Lab Struct Based Drug Design & Discovery, Shenyang 110016, Peoples R China in 2020, Cited 33. The Name is 3-Methylbenzoic acid. Through research, I have a further understanding and discovery of 99-04-7.

In this study, we introduced 1, 2, 4-triazole groups into panaxadiol (PD) to obtain 18 panaxadiol triazole derivatives. Five cancer cells and one normal cell were evaluated for cytotoxicity by MTT assay. The results showed that most of the derivatives could inhibit cancer cell proliferation, and the anti-proliferative activity of compound A1 was the most significant. For HepG-2 cells, the IC50 value was 4.21 +/- 0.54 mu M, which was nearly 15 times higher than the activity of PD. Further studies showed that compound A1 could induce apoptosis in HepG-2 cells, and could enhance the expression of Cl-caspase-3, Cl-caspase-9 and Cl-PARP. Moreover, Western blot analysis showed that after treating HepG-2 cells with compound A1, the expression of p53 protein was increased and the ratio of Bax/Bcl-2 was gradually increased. The cytoplasmic Bax is then translocated to the mitochondria, causing the release of Cyt c protein. Therefore, the results indicate that compound A1 induces apoptosis through the mitochondrial pathway and can be used the potential to develop new anti-proliferative agents.

About 3-Methylbenzoic acid, If you have any questions, you can contact Xiao, SN; Wang, XD; Xu, L; Li, T; Cao, JQ; Zhao, YQ or concate me.. Category: isothiazole

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