Tag: M.W=100-150

An article Ceric Ammonium Sulfate (CAS) Mediated Oxidations of Benzophenones Possessing a Phenolic Substituent for the Synthesis of Xanthones and Related Products WOS:000455286100012 published article about NATURAL-PRODUCTS; DEMETHYLATION in [Dam, Jean; Bode, Moira L.; de Koning, Charles B.] Univ Witwatersrand, Mol Sci Inst, Sch Chem, PO Wits 2050, Johannesburg, South Africa in 2019, Cited 25. The Name is 1,3-Dimethoxybenzene. Through research, I have a further understanding and discovery of 151-10-0. Name: 1,3-Dimethoxybenzene

Work previously published by our group described novel methodology for the synthesis of xanthones and related products from phenolic benzophenones in a reaction mediated by ceric ammonium sulfate (CAS). In this paper we further explore this novel reaction by subjecting an additional set of phenolic benzophenones to CAS to afford a range of compounds, including xanthones, 9H-xanthen-2,9(4aH)-diones, 3H-spiro[benzofuran-2,1′-cyclohexa[2,5]-diene]-3,4′-diones, and biaryl compounds. A comparison of these reactions with the more commonly used oxidant ceric ammonium nitrate (CAN) was also conducted. Based on these results, greater insight into the reaction mechanism has been gained. In addition, the conversion of the synthesized xanthen-2,9(4aH)-diones to xanthones by treatment with sodium dithionite is described.

About 1,3-Dimethoxybenzene, If you have any questions, you can contact Dam, J; Bode, ML; de Koning, CB or concate me.. Name: 1,3-Dimethoxybenzene

Reference:
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An article Electronic structure-based rate rules for ipso addition-elimination reactions on mono-aromatic hydrocarbons with single and double OH/CH3/OCH3/CHO/C2H5 substituents: a systematic theoretical investigation WOS:000572458900014 published article 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 in [Maffei, Luna Pratali; Faravelli, Tiziano; Cavallotti, Carlo; Pelucchi, Matteo] Politecn Milan, CRECK Modelling Lab, Dept Chem Mat & Chem Engn G Natta, Pzza Leonardo da Vinci 32, I-20133 Milan, Italy in 2020, Cited 91. Application In Synthesis of 1,3-Dimethoxybenzene. The Name is 1,3-Dimethoxybenzene. Through research, I have a further understanding and discovery 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.

Application In Synthesis of 1,3-Dimethoxybenzene. About 1,3-Dimethoxybenzene, If you have any questions, you can contact Maffei, LP; Faravelli, T; Cavallotti, C; Pelucchi, M or concate me.

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An article Cathodic C-H Trifluoromethylation of Arenes and Heteroarenes Enabled by an in Situ-Generated Triflyltriethylammonium Complex WOS:000489200100060 published article about CATALYZED TRIFLUOROMETHYLATION; MEDIATED TRIFLUOROMETHYLATION; RADICAL-ADDITION; FUNCTIONALIZATION; DEHYDROGENATION; RENAISSANCE; AMINES; METAL in [Jud, Wolfgang; Maljuric, Snjezana; Kappe, C. Oliver; Cantillo, David] Karl Franzens Univ Graz, Inst Chem, NAWI Graz, Heinrichstr 28, A-8010 Graz, Austria; [Jud, Wolfgang; Maljuric, Snjezana; Kappe, C. Oliver; Cantillo, David] Res Ctr Pharmaceut Engn GmbH RCPE, Ctr Continuous Flow Synth & Proc CC FLOW, Inffeldgasse 13, A-8010 Graz, Austria in 2019, Cited 46. The Name is 1,3-Dimethoxybenzene. Through research, I have a further understanding and discovery of 151-10-0. Category: isothiazole

While several trifluoromethylation reactions involving the electrochemical generation of CF3 radicals via anodic oxidation have been reported, the alternative cathodic, reductive radical generation has remained elusive. Herein, the first cathodic trifluoromethylation of arenes and heteroarenes is reported. The method is based on the electrochemical reduction of an unstable triflyltriethylammonium complex generated in situ from inexpensive triflyl chloride and triethylamine, which produces CF3 radicals that are trapped by the arenes on the cathode surface.

About 1,3-Dimethoxybenzene, If you have any questions, you can contact Jud, W; Maljuric, S; Kappe, CO; Cantillo, D or concate me.. Category: isothiazole

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Isothiazole – Wikipedia,
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Name: 3-Methylbenzoic acid. I found the field of Biochemistry & Molecular Biology; Chemistry very interesting. Saw the article Design, synthesis and SAR study of 3rd-generation taxoids bearing 3-CH3, 3-CF3O and 3-CHF2O groups at the C2-benzoate position published in 2020.0, Reprint Addresses Ojima, I (corresponding author), SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA.. The CAS is 99-04-7. Through research, I have a further understanding and discovery of 3-Methylbenzoic acid.

It has been shown that inclusion of CF3O and CHF2O groups to drug candidates often improve their pharmacological properties, especially metabolic stability, membrane permeability and PK profile. Moreover, the unique non-spherical structure of the OCHF2 group can provide interesting and beneficial characteristics. Accordingly, new 3rd-generation taxoids, bearing 3-OCF3 or 3-OCF2H (and 3-CH3 for comparison) at the C2 benzoate moiety, were synthesized and their potencies against drug-sensitive and drug-resistant cancer cell lines examined. In this study, our previous SAR studies on 3rd-generation taxoids were expanded to disclose that CH3, CF3O and CHF2O groups are well tolerated at this position and enhance potency, especially against MDR-cancer cell lines so that these taxoids can virtually overcome MDR. These new taxoids exhibit up to 7 times higher cytotoxicity (IC50) than paclitaxel against drug-sensitive cancer cell lines (MCF7 and LCC6-WT) and 2-3 orders of magnitude higher potency than paclitaxel against drug-resistant ovarian, breast and colon cancer cell lines with MDR-phenotype (NCI/ADR, LCC6-MDR and LDL-1), as well as pancreatic cancer cell line, CFPAC-1. Since it has been shown that a bulky group at this position reduces potency, it is noteworthy that rather bulky CF3O and CHF2O groups are well tolerated. Molecular modeling analysis indicated the favorable van der Waals interactions of CF3O and CHF2O groups in the binding site. It is also worthy of note that new taxoids, bearing a CHF2O group at the C2 benzoate position (1-06 series), exhibited the highest potencies against MDR-cancer cell lines and cancer stem cell (CSC)-enriched cancer cell lines. These new 3rd-generation taxoids are promising candidates for highly potent chemotherapeutic agents, as well as payloads for tumor-targeting drug conjugates such as antibody-drug conjugates (ADCs).

About 3-Methylbenzoic acid, If you have any questions, you can contact Wang, CW; Wang, X; Sun, Y; Taouil, AK; Yan, S; Botchkina, GI; Ojima, I or concate me.. Name: 3-Methylbenzoic acid

Reference:
Isothiazole – Wikipedia,
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Computed Properties of C8H10O2. In 2020 TETRAHEDRON published article about TERT-BUTYL NITRITE; ONE-POT SYNTHESIS; 3,5-DISUBSTITUTED ISOXAZOLES; REACTIVITY; CATALYST; ALKYNES; OXIDES; ACCESS in [Nakano, Ryuhta; Togo, Hideo] Chiba Univ, Grad Sch Sci, Inage Ku, Yayoi Cho 1-33, Chiba 2638522, Japan in 2020, Cited 28. The Name is 1,3-Dimethoxybenzene. Through research, I have a further understanding and discovery of 151-10-0.

Treatment of electron-rich arenes with Tf2O and DMF, followed by the reaction with NH2OH center dot HCl and then with Oxone (R) in the presence of diethyl acetylenedicarboxylate generated diethyl 3-arylisoxazole-4,5-dicarboxylates in good to moderate yields. Other alkynes could be also used for the present one-pot transformation of arenes into 3-arylisoxazole derivatives. Click here and insert your abstract text. (C) 2020 Elsevier Science. All rights reserved. (C) 2020 Published by Elsevier Ltd.

Computed Properties of C8H10O2. About 1,3-Dimethoxybenzene, If you have any questions, you can contact Nakano, R; Togo, H or concate me.

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

I found the field of Science & Technology – Other Topics very interesting. Saw the article Reaction scope and mechanistic insights of nickel-catalyzed migratory Suzuki-Miyaura cross-coupling published in 2020. Computed Properties of C8H10O2, Reprint Addresses Yin, GY (corresponding author), Wuhan Univ, Inst Adv Studies, Wuhan 430072, Hubei, Peoples R China.; Lan, Y (corresponding author), Chongqing Univ, Sch Chem & Chem Engn, Chongqing Key Lab Theoret & Computat Chem, Chongqing 400030, Peoples R China.; Lan, Y (corresponding author), Zhengzhou Univ, Coll Chem & Mol Engn, Zhengzhou 450001, Peoples R China.. The CAS is 151-10-0. Through research, I have a further understanding and discovery of 1,3-Dimethoxybenzene

Cross-coupling reactions have developed into powerful approaches for carbon-carbon bond formation. In this work, a Ni-catalyzed migratory Suzuki-Miyaura cross-coupling featuring high benzylic or allylic selectivity has been developed. With this method, unactivated alkyl electrophiles and aryl or vinyl boronic acids can be efficiently transferred to diarylalkane or allylbenzene derivatives under mild conditions. Importantly, unactivated alkyl chlorides can also be successfully used as the coupling partners. To demonstrate the applicability of this method, we showcase that this strategy can serve as a platform for the synthesis of terminal, partially deuterium-labeled molecules from readily accessible starting materials. Experimental studies suggest that migratory cross-coupling products are generated from Ni(0/II) catalytic cycle. Theoretical calculations indicate that the chain-walking occurs at a neutral nickel complex rather than a cationic one. In addition, the original-site cross-coupling products can be obtained by alternating the ligand, wherein the formation of the products has been rationalized by a radical chain process.

Computed Properties of C8H10O2. About 1,3-Dimethoxybenzene, If you have any questions, you can contact Li, YQ; Luo, YX; Peng, L; Li, YY; Zhao, BZ; Wang, W; Pang, HL; Deng, Y; Bai, RP; Lan, Y; Yin, GY or concate me.

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Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com

An article Synthesis of alpha-Aryl Oxindoles by Friedel-Crafts Alkylation of Arenes WOS:000530092400041 published article about ENANTIOSELECTIVE SYNTHESIS; ALLYLIC ALKYLATION; BRONSTED ACID; ARYLATION; 3-ARYLOXINDOLES; CONSTRUCTION; CATALYSTS; ISATINS; LIGAND in [Rokade, Balaji, V; Guiry, Patrick J.] Univ Coll Dublin UCD, Ctr Synth & Chem Biol CSCB, Synth & Solid State Pharmaceut Ctr SSPC, Sch Chem, Dublin 4, Ireland in 2020, Cited 38. Recommanded Product: 1,3-Dimethoxybenzene. The Name is 1,3-Dimethoxybenzene. Through research, I have a further understanding and discovery of 151-10-0

alpha-Aryl oxindoles are accessed from isatin via a two-step procedure involving a phospha-Brook rearrangement and a Friedel-Crafts alkylation in a one-pot procedure. The use of 1,1,1,3,3,3-hexafluoro-2-propanol as solvent significantly extended the reaction substrate scope to include relatively less electron-rich arenes including benzene. This new alkylation method is fast and straightforward and allows for the direct introduction of the oxindole moiety onto a range of aromatic compounds including phenols. Additionally, the application of arylated products was shown in decarboxylative asymmetric allylation and protonation.

Recommanded Product: 1,3-Dimethoxybenzene. About 1,3-Dimethoxybenzene, If you have any questions, you can contact Rokade, BV; Guiry, PJ or concate me.

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Isothiazole – Wikipedia,
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An article N-Sulfonyl acetylketenimine as a highly reactive intermediate for synthesis of N-Aroylsulfonamides WOS:000456353200007 published article about GROUP-11 METAL(I) COMPOUNDS; COPPER-CATALYZED SYNTHESIS; LEWIS-BASE ADDUCTS; STEREOSELECTIVE-SYNTHESIS; NITROGEN ANALOGS; ROOM-TEMPERATURE; CARBOXYLIC-ACIDS; AMIDE SYNTHESIS; FACILE ACCESS; ALKYNE in [Yang, Weiguang; Huang, Dayun; Zeng, Xiaobao; Zhang, Jianlan; Wang, Xinyan; Hu, Yuefei] Tsinghua Univ, Key Lab Bioorgan Phosphorus Chem & Chem Biol, Minist Educ, Dept Chem, Beijing 100084, Peoples R China in 2019, Cited 60. The Name is 3-Methylbenzoic acid. Through research, I have a further understanding and discovery of 99-04-7. Category: isothiazole

A highly reactive intermediate N-sulfonyl acetylketenimine was generated from an ynone-participated CuAAC/ring-opening method. Its unique structure allowed it to react with aryl carboxylic acids to give N-aroylsulfonamides via a novel Mumm-type rearrangement. (C) 2018 Elsevier Ltd. All rights reserved.

Category: isothiazole. About 3-Methylbenzoic acid, If you have any questions, you can contact Yang, WG; Huang, DY; Zeng, XB; Zhang, JL; Wang, XY; Hu, YF or concate me.

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Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com

Authors Wu, Y; Zhang, MS; Zhang, YL; Li, MY; Feng, WS; Zheng, XK; Tang, L in ROYAL SOC CHEMISTRY published article about O BOND FORMATION; C-H LACTONIZATION; DIMETHYL-SULFOXIDE; CATALYZED C(SP(2))-H; EXPEDIENT SYNTHESIS; PUMMERER REACTION; METHYL KETONES; FACILE ACCESS; STRATEGY; FUNCTIONALIZATION in [Wu, Ya; Zhang, Mengsha; Zhang, Yanli; Li, Mingyang; Feng, Weisheng; Zheng, Xiaoke] Henan Univ Chinese Med, Sch Pharm, Zhengzhou 450046, Henan, Peoples R China; [Wu, Ya; Zhang, Mengsha; Zhang, Yanli; Li, Mingyang; Feng, Weisheng; Zheng, Xiaoke] Henan Univ Chinese Med, Collaborat Innovat Ctr Resp Dis Diag & Treatment, Zhengzhou 450046, Henan, Peoples R China; [Tang, Lin] Xinyang Normal Univ, Coll Chem & Chem Engn, Xinyang 464000, Henan, Peoples R China in 2020, Cited 75. 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

The firstN-bromosuccinimide (NBS)-promoted transition metal-free cross-dehydrogenative esterification of carboxylic acids with dimethyl sulfoxide (DMSO) has been disclosed for formal C-O formationviaPummerer-type rearrangement. These transformations employ readily available carboxylic acids as the nucleophile and DMSO as the sulfur-containing carbon source and solvent under mild conditions, affording valuable (methylsulfinyl)methyl esters with a broad substrate scope. Furthermore, the developed protocol provides an efficient and straightforward method for the preparation of deuterated (methylsulfinyl)methyl esters by use of deuterium-labelled DMSO as the reagent.

SDS of cas: 99-04-7. About 3-Methylbenzoic acid, If you have any questions, you can contact Wu, Y; Zhang, MS; Zhang, YL; Li, MY; Feng, WS; Zheng, XK; Tang, L or concate me.

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,Isothiazole – ScienceDirect.com

Recently I am researching about ACETYLCHOLINESTERASE; BUTYRYLCHOLINESTERASE; INHIBITORS; BINDING; HYBRIDS, Saw an article supported by the Science and Technology Research Program of Shandong Academy of Medical Sciences [2017-16]; Shandong Provincial Natural Science FoundationNatural Science Foundation of Shandong Province [ZR2018LH021]; Innovation Project of Shandong Academy of Medical Sciences. Published in TAYLOR & FRANCIS LTD in ABINGDON ,Authors: Hu, YH; Yang, J; Zhang, Y; Liu, KC; Liu, T; Sun, J; Wang, XJ. The CAS is 99-04-7. Through research, I have a further understanding and discovery of 3-Methylbenzoic acid. SDS of cas: 99-04-7

The work is focused on the design of drugs that prevent and treat Alzheimer’s disease (AD) and its complications. A series of 3-(4-aminophenyl)-coumarin derivatives designed, synthesised, fully characterised and evaluated in vitro/vivo. The biological assay experiments showed that some compounds displayed a clearly selective inhibition for acetylcholinesterase (AChE) and butyrylcholinesterase (BuChE). Among all compounds, compound 4m exhibited the highest AChE inhibition with an IC50 value of 0.091 +/- 0.011 mu M and compound 4k exhibited the highest BuChE inhibition with an IC50 value of 0.559 +/- 0.017 mu M. A zebrafish behaviour analyser (Zebrobox) was used to determine the behavioural effects of the active compound on the movement distance of the aluminium chloride-induced zebrafish. Compound 4m offered a potential drug design concept for the development of therapeutic or preventive agents for AD and its complications.

SDS of cas: 99-04-7. About 3-Methylbenzoic acid, If you have any questions, you can contact Hu, YH; Yang, J; Zhang, Y; Liu, KC; Liu, T; Sun, J; Wang, XJ or concate me.

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