Tag: M.W=100-150

An article Iridium-catalyzed, ligand-controlled directed alkynylation and alkenylation of arenes with terminal alkynes WOS:000510662900029 published article about C-H ALKYNYLATION; EXPEDIENT ACCESS; HYDROARYLATION; AMIDES; FUNCTIONALIZATION; HETEROCYCLES; INDOLES; BONDS; GAMMA in [Sun, Xin; Zhao, Wei; Li, Bi-Jie] Tsinghua Univ, Dept Chem, CBMS, Beijing 100084, Peoples R China in 2020.0, Cited 47.0. The Name is 3-Methylbenzoic acid. Through research, I have a further understanding and discovery of 99-04-7. Safety of 3-Methylbenzoic acid

We report iridium-catalyzed C-C formation between benzamides and terminal alkynes. With the choice of a suitable ligand, a C-H alkynylation or alkenylation product could be obtained selectively. The directed C-H alkynylation proceeded without the need for an external oxidant, while the directed C-H alkenylation likely involves an unusual vinylidene mechanism. This divergent reactivity provides access to both alkynylation and alkenylation products from the same set of starting materials.

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I found the field of Chemistry very interesting. Saw the article Selectively Oxidative C(sp(2))-H/C(sp(3))-H Cross-Coupling of Benzamides with Amides by Nickel Catalysis published in 2020.0. Quality Control of 3-Methylbenzoic acid, Reprint Addresses Zhang, YH (corresponding author), Zhejiang Univ, Dept Chem, Hangzhou 310027, Peoples R China.; Han, DM (corresponding author), Taizhou Univ, Dept Chem, Jiaojiang 318000, Peoples R China.. The CAS is 99-04-7. Through research, I have a further understanding and discovery of 3-Methylbenzoic acid

The oxidative cross-coupling between the alpha-C(sp(3))-H bond of amide in DMAc and the inert ortho-C(sp(2))-H bond of benzamides is achieved for the first time by nickel catalysis, with the assistance of 8-aminoquinolyi group in the presence of a silver oxidant. Notably, the selectivity of conversion can be perfectly controlled by modulating the oxidant additives, and the products from the coupling of the C(sp(3))-H bond adjacent to nitrogen of amides with benzamides are approached through the use of peroxide.

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An article Synthetic and Computational Studies on Rh-III-Catalyzed Redox-Neutral Cascade of Carbenoid Functionalization and Dephosphonylative Annulation WOS:000656056500006 published article about CROSS-COUPLING REACTIONS; C BOND FORMATION; ALPHA-PYRONES; METAL CARBENE; DENSITY FUNCTIONALS; BASIS-SETS; ISOCOUMARINS; ARYLATION; TOSYLHYDRAZONES; INSERTION in [Bera, Suvankar; Sarkar, Debabrata; Pathi, Vijay Babu; Pakrashy, Sourav; Banerji, Biswadip] Indian Inst Chem Biol CSIR IICB, Organ & Med Chem Div, Kolkata 700032, India; [Mondal, Partha; Datta, Ayan] Indian Assoc Cultivat Sci, Sch Chem Sci, Kolkata 700032, India; [Banerji, Biswadip] Indian Inst Chem Biol CSIR IICB, Acad Sci & Innovat Res AcSIR, Kolkata 700032, India in 2021, Cited 67. Category: isothiazole. The Name is 3-Methylbenzoic acid. Through research, I have a further understanding and discovery of 99-04-7

A Rh(III)-catalyzed regioselective redox-neutral cascade process of carbenoid functionalization followed by dephosphonylative annulation of benzoic acids with alpha-diazo-beta-keto phosphonate has been realized, which led to the direct synthesis of a privileged 3-substituted isocoumarin scaffold. To the best of our knowledge, this is the first report of a complete redox neutral method to synthesize isocoumarins using C-H functionalization strategy. In the catalytic cycle of this reaction, there are two possible pathways for the C-C coupling between ortho-positioned carbon atom of benzoic acid and the diazo carbon atom: (i) concerted 1,2-aryl shift and (ii) stepwise metal-carbene formation followed by migratory insertion. DFT study has predicted that the concerted pathway has lower activation energy as compared to the stepwise pathway by 1.5 kcal/mol.

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I found the field of Chemistry very interesting. Saw the article Enhanced Acidity and Activity of Aluminum/Gallium-Based Ionic Liquids Resulting from Dynamic Anionic Speciation published in 2019. Application In Synthesis of 1,3-Dimethoxybenzene, Reprint Addresses Rogers, RD (corresponding author), Univ Alabama, Coll Arts & Sci, Tuscaloosa, AL 35487 USA.; Rogers, RD (corresponding author), 525 Solut Inc, POB 2206, Tuscaloosa, AL 35403 USA.. The CAS is 151-10-0. Through research, I have a further understanding and discovery of 1,3-Dimethoxybenzene

To explore if the catalytic activity of single-metal species in halometallate catalysts can be enhanced with mixed-metal species, aluminum and gallium were simultaneously introduced to prepare a mixed-metal ionic liquid (IL) through a one pot reaction of [HN222]Cl, AlCl3, and GaCl3 in various amounts. The Lewis acidity in Friedel-Crafts acylation and alkylation reactions of these IL compositions were evaluated and all mixed-metal [HN222][xAlCl(3) + (2 – x)GaCl3]Cl ILs exhibited higher catalytic activity than AlCl3, GaCl3, [HN222][Al2Cl7], or [HN222][Ga2Cl7]. The broadening in Al-27 nuclear magnetic resonance (NMR) of these ILs indicates the presence of dynamic anionic species, whereas matrix-assisted laser-desorption ionization time of-flight (MALDI-TOF) and acetonitrile-probed Fourier transform infrared (FT-IR) analyses correlates the structure-activity relationship, for instance, identifying the presence of mixed-metal-containing [Cl2GaOClAlClOGaCl2](-) species in the better-performing ILs.

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Isothiazole – Wikipedia,
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An article Visible-light-induced dearomative oxamination of indole derivatives and dearomative amidation of phenol derivatives WOS:000553224000017 published article about PHOTOREDOX CATALYSIS; MEDIATED DEAROMATIZATION; ASYMMETRIC ALKYLATION; ELECTRON-TRANSFER; NITRENIUM ION; AZIRIDINATION; RADICALS; AZASPIROCYCLIZATION; SULFONAMIDES; REAGENTS in [Wu, Lingang; Hao, Yanan; Liu, Yuxiu; Song, Haibin; Wang, Qingmin] Nankai Univ, Res Inst Elementoorgan Chem, State Key Lab Elementoorgan Chem, Tianjin 300071, Peoples R China; [Wang, Qingmin] Collaborat Innovat Ctr Chem Sci & Engn Tianjin, Tianjin 300071, Peoples R China in 2020.0, Cited 55.0. The Name is 3-Methylbenzoic acid. Through research, I have a further understanding and discovery of 99-04-7. Product Details of 99-04-7

Herein, we report a protocol for visible-light-induced dearomative oxamination reactions of indole derivatives to afford functionalized spirocyclic products. These step-economical reactions, which involve C-N and C-O bond formation, feature mild conditions, a broad substrate scope, high yields, exclusive diastereoselectivity and step-economy. In addition, a similar protocol could be used to synthesize spirolactams by dearomative amidation of phenol derivatives.

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Isothiazole – Wikipedia,
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In 2021 J ELECTROCHEM SOC published article about COPPER-CATALYZED SYNTHESIS; THIAZOLOPYRIDINES; BENZOTHIAZOLES; VORTIOXETINE; VALDECOXIB; ANNULATION; NELFINAVIR; INHIBITOR; CELECOXIB; ALCOHOLS in [Wang, Xin-Xing; Chen, Cheng; Shi, Hai-Zhu; Zhang, Guo-Wei; Tang, Yu; Zhang, Chun-Gu; Wu, Ming-Yu; Feng, Shun] Southwest Jiaotong Univ, Sch Life Sci & Engn, Chengdu 610031, Peoples R China in 2021, Cited 59. The Name is 1,3-Dimethoxybenzene. Through research, I have a further understanding and discovery of 151-10-0. Name: 1,3-Dimethoxybenzene

A metal- and oxidant-free electrochemical synthesis of aryl sulfides was developed through a C-H sulfidation reaction of arenes and disulfides. Compared with traditional organic synthesis methods, this direct electrochemical approach efficiently generates aryl sulfides under catalyst- and oxidant-free conditions with the superiorities of wide substrate compatibility, mild reaction condition and waster free. At room temperature, various aryl thiols could be transformed smoothly in an undivided cell. Based on cyclic voltammetry (CV) and control experiments, the possible reaction mechanism was also proposed. The gram-scale synthesis emphasizes the practicability of this electrochemical strategy. (c) 2021 The Electrochemical Society (ECS). Published on behalf of ECS by IOP Publishing Limited.

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An article Bi(OTf)(3)-catalysed regioselective arylation of Morita-Baylis-Hillman type allylic electrophiles WOS:000527103900015 published article about FRIEDEL-CRAFTS REACTION; ACTIVATED DOUBLE-BONDS; STEREOSELECTIVE-SYNTHESIS; DEFICIENT ARENES; FACILE SYNTHESIS; LEWIS-ACID; NUCLEOPHILIC-SUBSTITUTION; ANTIMALARIAL ACTIVITY; BUILDING-BLOCKS; ADDUCTS in [Omrani, Assia; Rezgui, Farhat] Univ Tunis El Manar, Fac Sci Tunis, Lab Chim Organ Struct LR99ES14, Campus Univ, Tunis 2092, Tunisia; [Omrani, Assia; Dunach, Elisabet; Poulain-Martini, Sophie] Univ Cote dAzur, Inst Chim Nice, CNRS, Parc Valrose, F-06108 Nice 2, France in 2020, Cited 73. 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 Friedel-Crafts reaction of a wide variety of arenes and heteroarenes was accomplished, in good to excellent yields (50-98%) and with high alpha -regioselectivity, using Morita-Baylis-Hillman acetates. Functionalized conjugated enones were obtained under Bi(OTf)(3) catalysis (10 mol%) in dichloroethane (DCE) at 50 degrees C. (C) 2020 Elsevier Ltd. All rights reserved.

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Isothiazole – Wikipedia,
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An article Enantioselective Synthesis of Atropisomeric Biaryls using Biaryl 2,5-Diphenylphospholanes as Ligands for Palladium-Catalysed Suzuki-Miyaura Reactions WOS:000591516300001 published article about CROSS-COUPLING REACTIONS; HIGHLY-ACTIVE CATALYST; EFFICIENT SYNTHESIS; PHOSPHINE; TRANSMETALATION; COMPLEXES; AMINATION; SCOPE in [Byrne, Liam; Turner, Andrew R.; Smith, Peter D.] AstraZeneca, Early Chem Dev, R&D, Pharmaceut Sci, Macclesfield, Cheshire, England; [Skold, Christian] Uppsala Univ, Dept Med Chem, Drug Design & Discovery, S-75123 Uppsala, Sweden; [Norrby, Per-Ola] AstraZeneca, R&D, Pharmaceut Sci, Data Sci & Modelling, Gothenburg, Sweden; [Munday, Rachel H.] AstraZeneca, Chem Dev, Operat, Pharmaceut Technol & Dev, Macclesfield, Cheshire, England in 2021, Cited 69. The Name is 1,3-Dimethoxybenzene. Through research, I have a further understanding and discovery of 151-10-0. Safety of 1,3-Dimethoxybenzene

Here we describe the development of biaryl 2,5-diphenylphospholanes as a new class of C-2-symmetric, monodentate ligands for asymmetric Suzuki-Miyaura (ASM) reactions. Screening of a series of exemplary phospholanes led to the identification of two ligands that were used to prepare a range of atropisomeric biaryl and heterobiaryl products with good to excellent levels of enantioselectivity (up to 97:3 e.r.) under mild conditions. DFT studies suggest that the formation of a constraining ligand pocket and coordination of one of the biaryl methoxy groups in the optimised ligands to the metal centre is crucial for restricting conformational freedom in the bond-forming step.

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Product Details of 151-10-0. In 2021 ORG LETT published article about THIOCYANOGEN CHLORIDE; SULFIDES in [Kanemoto, Kazuya; Furuhashi, Koudai; Morita, Yoshitsugu; Komatsu, Teruyuki; Fukuzawa, Shin-ichi] Chuo Univ, Fac Sci & Engn, Tokyo 1128551, Japan in 2021, Cited 50. The Name is 1,3-Dimethoxybenzene. Through research, I have a further understanding and discovery of 151-10-0.

A trifluoroacetic-acid-mediated desulfurilative sulfonylthiolation of arenes using SS-morpholino dithiosulfonate is described. This system is based on selective activation of the morpholino group over the tosyl group of the doubly transformable sulfur surrogate. Mechanistic studies suggested that the reaction proceeds through electrophilic aromatic substitution followed by sulfur extrusion. The wide substrate scope of this reaction and the transformability of the resulting thiosulfonates enable expeditious access to divergent multifunctionalized sulfides.

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Isothiazole – Wikipedia,
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Recently I am researching about PREDICTION; SCALE; BEWARE; MODEL; V1.0, Saw an article supported by the NERC PANORAMA Ph.D. studentships; University of YorkEuropean Commission; Natural Environment Research CouncilUK Research & Innovation (UKRI)Natural Environment Research Council (NERC) [NE/S010467/1]; Natural Environment Research Council strategic capital grant [CC090]. Published in AMER CHEMICAL SOC in WASHINGTON ,Authors: Mayhew, AW; Topping, DO; Hamilton, JF. The CAS is 99-04-7. Through research, I have a further understanding and discovery of 3-Methylbenzoic acid. Safety of 3-Methylbenzoic acid

Electrospray ionization (ESI) is widely used as an ionization source for the analysis of complex mixtures by mass spectrometry. However, different compounds ionize more or less effectively in the ESI source, meaning instrument responses can vary by orders of magnitude, often in hard-to-predict ways. This precludes the use of ESI for quantitative analysis where authentic standards are not available. Relative ionization efficiency (RIE) scales have been proposed as a route to predict the response of compounds in ESL In this work, a scale of RIEs was constructed for 51 carboxylic acids, spanning a wide range of additional functionalities, to produce a model for predicting the RIE of unknown compounds. While using a limited number of compounds, we explore the usefulness of building a predictor using popular supervised regression techniques, encoding the compounds as combinations of different structural features using a range of common fingerprints. It was found that Bayesian ridge regression gives the best predictive model, encoding compounds using features designed for activity coefficient models. This produced a predictive model with an R-2 score of 0.62 and a root-mean-square error (RMSE) of 0.362. Such scores are comparable to those obtained in previous studies but without the requirement to first measure or predict the physical properties of the compounds, potentially reducing the time required to make predictions.

Safety of 3-Methylbenzoic acid. Welcome to talk about 99-04-7, If you have any questions, you can contact Mayhew, AW; Topping, DO; Hamilton, JF or send Email.

Reference:
Isothiazole – Wikipedia,
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