Month: November 2021

Recently I am researching about RETICULAR CHEMISTRY; KINETIC SEPARATION; EFFICIENT REMOVAL; PROPYNE; HYDROGENATION; SELECTIVITY; CAPACITY; STRATEGY; CATALYST; PROPANE, Saw an article supported by the National Natural Science Foundation of ChinaNational Natural Science Foundation of China (NSFC) [21771012, 51621003]. Published in ROYAL SOC CHEMISTRY in CAMBRIDGE ,Authors: Wu, XQ; Xie, YB; Liu, JH; He, T; Zhang, YZ; Yu, JM; Kong, XJ; Li, JR. The CAS is 99-27-4. Through research, I have a further understanding and discovery of Dimethyl 5-aminoisophthalate. Recommanded Product: Dimethyl 5-aminoisophthalate

By integrating open metal sites, Lewis basic sites, and tortuous diffusion paths, a new metal-organic framework has been designed and synthesized, which exhibits high adsorption capacity and excellent selectivity for separating a C3H4/C3H6 mixture. Meanwhile, the molecular packing state, dynamic diffusion coefficient of gases within the framework, and binding interaction are studied by molecular simulations.

About Dimethyl 5-aminoisophthalate, If you have any questions, you can contact Wu, XQ; Xie, YB; Liu, JH; He, T; Zhang, YZ; Yu, JM; Kong, XJ; Li, JR or concate me.. Recommanded Product: Dimethyl 5-aminoisophthalate

Reference:
Patent; ASTRA ZENECA AB; NPS PHARMACEUTICALS, INC.; WO2004/14881; (2004); A2;,
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

I found the field of Pharmacology & Pharmacy; Chemistry very interesting. Saw the article Bridged-Selective Intramolecular Diels-Alder Reactions in the Synthesis of Bicyclo[2.2.2]octanes published in 2020.0. Safety of 6H-Benzo[c]chromen-6-one, Reprint Addresses Matsuo, J (corresponding author), Kanazawa Univ, Grad Sch Med Sci, Div Pharmaceut Sci, Kakuma Machi, Kanazawa, Ishikawa 9201192, Japan.. The CAS is 2005-10-9. Through research, I have a further understanding and discovery of 6H-Benzo[c]chromen-6-one

Regioselectivity for intramolecular Diels-Alder (IMDA) reactions of 6-acetoxy-6-alkenylcyclohexa-2,4-dien-1-ones that were formed by oxidation of 2-alkenylphenols with lead tetraacetate in acetic acid were studied. Bridged regioselectivity was observed in the IMDA reactions of 6-acetoxy-6-alkenylcyclohexa-2,4-dien-1-ones having a dienophile part which could conjugate with an aromatic group. Bridged seven-and eight-membered rings and bicyclo[2.2.2]octane skeletons were constructed by the present IMDA reactions. Density functional theory (DFT) calculations suggested that conjugation of the dienophile with neighboring aromatic groups lowered the highest occupied molecular orbital-lowest unoccupied molecular orbital (HOMO-LUMO) energy gap and preceded bridged [4 + 2] adducts.

Safety of 6H-Benzo[c]chromen-6-one. About 6H-Benzo[c]chromen-6-one, If you have any questions, you can contact Hanashima, M; Matsumura, T; Asaji, Y; Yoshimura, T; Matsuo, J or concate me.

Reference:
Article; Zhang, Jian; Shi, Dongdong; Zhang, Haifeng; Xu, Zheng; Bao, Hanyang; Jin, Hongwei; Liu, Yunkui; Tetrahedron; vol. 73; 2; (2017); p. 154 – 163;,
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

HPLC of Formula: C13H8O2. I found the field of Engineering very interesting. Saw the article Synergistic adsorption of Cu(II) and photocatalytic degradation of phenanthrene by a jaboticaba-like TiO2/titanate nanotube composite: An experimental and theoretical study published in 2019.0, Reprint Addresses Cai, ZQ (corresponding author), East China Univ Sci & Technol, Natl Engn Lab High Concentrat Refractory Organ Wa, Shanghai 200237, Peoples R China.; Liu, W (corresponding author), Peking Univ, Key Lab Water & Sediment Sci, Minist Educ, Coll Environm Sci & Engn, Beijing 100871, Peoples R China.. The CAS is 2005-10-9. Through research, I have a further understanding and discovery of 6H-Benzo[c]chromen-6-one.

Combined water pollution with the coexistence of heavy metals and organic contaminants is of great concern for practical wastewater treatment. In this study, a jaboticaba-like nanocomposite, titanate nanotubes supported TiO2 (TiO2/TiNTs), was synthesized by a two-step hydrothermal treatment. TiO2 /TiNTs had large surface area, abundant of -ONa/H groups and fine crystal anatase phase, thus exhibited both good adsorptive performance for Cu(II) and high photocatalytic activity for phenanthrene degradation. The maximum Cu(II) adsorption capacity on TiO2/TiNTs was 115.0 mg/g at pH 5 according to Langmuir isotherm model, and > 95% of phenanthrene was degraded within 4 h under UV light. TiO2/TiNTs showed about 10 times higher observed rate constant (k(obs) ) for phenanthrene degradation compared to the unmodified TiNTs. More importantly, the coexistence of Cu(II) promoted photocatalytic degradation of phenanthrene, because the incorporated Cu(II) in the lattice of TiNTs could trap photo-excited electron and thus inhibited the electron-hole recombination. Density functional theory (DFT) calculation indicated that the sites of phenanthrene with high Fukui index (f(0)) preferred to be attacked by center dot OH radicals. The quantitative structure-activity relationship (QSAR) analysis revealed that the degradation intermediates had lower acute toxicity and mutagenicity than phenanthrene. TiO2/TiNTs also owned high stability, as only slight loss of Cu(II) and phenanthrene removal efficiency was observed even after four reuse cycles. The developed material in this study is of great application potential for water or wastewater treatment with multi-contaminants, and this work can help us to better understand the mechanisms on reaction between Ti-based nanomaterials and different kinds of contaminants.

HPLC of Formula: C13H8O2. About 6H-Benzo[c]chromen-6-one, If you have any questions, you can contact Cheng, KY; Cai, ZQ; Fu, J; Sun, XB; Sun, WL; Chen, L; Zhang, DD; Liu, W or concate me.

Reference:
Article; Zhang, Jian; Shi, Dongdong; Zhang, Haifeng; Xu, Zheng; Bao, Hanyang; Jin, Hongwei; Liu, Yunkui; Tetrahedron; vol. 73; 2; (2017); p. 154 – 163;,
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

An article Carboxylation of Aryl Triflates with CO2 Merging Palladium and Visible-Light-Photoredox Catalysts WOS:000473116000050 published article about C-H FUNCTIONALIZATION; CARBON-DIOXIDE; DUAL CATALYSIS; DRIVEN CARBOXYLATION; UNACTIVATED PRIMARY; BUILDING-BLOCK; BONDS; HALIDES; ACIDS; HYDROCARBOXYLATION in [Bhunia, Samir Kumar; Das, Pritha; Nandi, Shantanu; Jana, Ranjan] CSIR Indian Inst Chem Biol, Organ & Med Chem Div, 4 Raja SC Mullick Rd, Kolkata 700032, W Bengal, India; [Bhunia, Samir Kumar; Jana, Ranjan] Acad Sci & Innovat Res AcSIR, Kolkata 700032, W Bengal, India in 2019.0, Cited 88.0. Computed Properties of C13H8O2. The Name is 6H-Benzo[c]chromen-6-one. Through research, I have a further understanding and discovery of 2005-10-9

We report herein a visible-light-promoted, highly practical carboxylation of readily accessible aryl triflates at ambient temperature and a balloon pressure of CO2 by the combined use of palladium and photoredox Ir(III) catalysts. Strikingly, the stoichiometric metallic reductant is replaced by a nonmetallic amine reductant providing an environmentally benign carboxylation process. In addition, one-pot synthesis of a carboxylic acid directly from phenol and modification of estrone and concise synthesis of pharmaceutical drugs adapalene and bexarotene have been accomplished via late-stage carboxylation reaction. Furthermore, a parallel decarboxylation-carboxylation reaction has been demonstrated in an H-type closed vessel that is an interesting concept for the strategic sector. Spectroscopic and spectroelectrochemical studies indicated electron transfer from the Ir(III)/DIPEA combination to generate aryl carboxylate and Pd(0) for catalytic turnover.

Computed Properties of C13H8O2. About 6H-Benzo[c]chromen-6-one, If you have any questions, you can contact Bhunia, SK; Das, P; Nandi, S; Jana, R or concate me.

Reference:
Article; Zhang, Jian; Shi, Dongdong; Zhang, Haifeng; Xu, Zheng; Bao, Hanyang; Jin, Hongwei; Liu, Yunkui; Tetrahedron; vol. 73; 2; (2017); p. 154 – 163;,
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

An article Production of Methyl p-Hydroxycinnamate by Selective Tailoring of Herbaceous Lignin Using Metal-Based Deep Eutectic Solvents (DES) as Catalyst WOS:000577113500041 published article about SUGARCANE BAGASSE; DIETHYL MALEATE; DEPOLYMERIZATION; EFFICIENT; DELIGNIFICATION; OXIDATION; CLEAVAGE; MONOMERS; BIOMASS; PHENOL in [Li, Zhang-min; Long, Jin-xing; Zeng, Qiang; Wu, Yuan-hao; Cao, Ming-long; Liu, Si-jie; Li, Xue-hui] South China Univ Technol, State Key Lab Pulp & Paper Engn, Sch Chem & Chem Engn, Guangzhou 510640, Peoples R China; [Li, Zhang-min] Jiangxi Normal Univ, Coll Chem & Chem Engn, Nanchang 330022, Jiangxi, Peoples R China in 2020, Cited 39. The Name is Methyl 2,2-dimethoxyacetate. Through research, I have a further understanding and discovery of 89-91-8. Safety of Methyl 2,2-dimethoxyacetate

Catalytic conversion of lignin to versatile aromatic compounds is attracting increasing attention. However, it is highly desirable but challenging to produce a specific chemical with high yield through lignin depolymerization in a one-pot process because of the complex structure of the lignin molecule (mainly composed of H, G, and S units). In this study, a series of metal-based deep eutectic solvents (M-DESs) were prepared and used for the catalytic tailoring of lignin H units to produce value-added methyl p-hydroxycinnamate (MPC). In particular, M-DES ChCl[FeCl3](2) showed excellent catalytic performance for the selective production of MPC as the sole product with high yield and selectivity (105.8 mg g(-1) and 74.1%, respectively). Extensive characterizations using 2D HSQC NMR, C-13 NMR, and GPC demonstrated that MPC was obtained from the selective tailoring of p-coumaric acid (pCA) units via the cleavage of ester bonds in lignin. Furthermore, M-DES ChCl[FeCl3](2) also exhibited efficiency to other herbaceous lignins, and showed excellent recyclability. Therefore, this work provides an effective strategy for the valorization of lignin.

Safety of Methyl 2,2-dimethoxyacetate. About Methyl 2,2-dimethoxyacetate, If you have any questions, you can contact Li, ZM; Long, JX; Zeng, Q; Wu, YH; Cao, ML; Liu, SJ; Li, XH or concate me.

Reference:
Patent; U C B, Societe Anonyme; US4041077; (1977); A;,
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

An article Engaging alpha-Fluorocarboxylic Acids Directly in Decarboxylative C-C Bond Formation WOS:000526395000048 published article about POSITRON-EMISSION-TOMOGRAPHY; CARBOXYLIC-ACIDS; MERGING PHOTOREDOX; H BONDS; FLUORINE; NICKEL; DEOXYFLUORINATION; CARBOFLUORINATION; CATALYSIS; DERIVATIVES in [Wang, Hongyu; Liu, Chen-Fei; Ho, Yee Ann; Koh, Ming Joo] Natl Univ Singapore, Dept Chem, Singapore 117549, Singapore; [Song, Zhihui; Yuan, Mingbin; Gutierrez, Osvaldo] Univ Maryland, Dept Chem & Biochem, College Pk, MD 20742 USA in 2020.0, Cited 86.0. The Name is Methyl 3-phenylpropionate. Through research, I have a further understanding and discovery of 103-25-3. Product Details of 103-25-3

Fluorine-containing organic molecules, particularly those that bear (sp(3))C-F bonds, are rapidly gaining prominence in modern chemical synthesis. Although extensive studies have been devoted to the preparation of secondary and tertiary fluorides, crucial shortcomings remain: for example, lengthy substrate synthesis, contrived installation of difficult-to-remove directing/activating units, excessive waste generation and/or limited functional group compatibility. Here, we show that readily accessible alpha-onofluoro carboxylic acids, which are conventionally difficult substrates for cross-coupling, undergo direct decarboxylative crosscoupling with sp(2-) and sp(3-)hybridized organohalides to afford a wide assortment of fluorinated products. Reactions are typically promoted by a combination of 1 mol % of an Ir-based photocatalyst and 2-15 mol % of a bipyridine-Ni complex, delivering products in up to 86% yield under blue LED light irradiation. Concise synthesis of key therapeutic candidates underscores utility, complementarity, and distinct advantages compared with existing methods. DFT calculations are used to rationalize the distinct reactivity of alpha-fluoro carboxylic acid substrates (vs nonfluorinated parent acids) under decarboxylation conditions.

About Methyl 3-phenylpropionate, If you have any questions, you can contact Wang, HY; Liu, CF; Song, ZH; Yuan, MB; Ho, YA; Gutierrez, O; Koh, MJ or concate me.. Product Details of 103-25-3

Reference:
Patent; SANOFI; US2011/294788; (2011); A1;,
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Name: Dimethyl 5-aminoisophthalate. In 2019 INORG CHEM published article about ELECTRON-PARAMAGNETIC-RESONANCE; GAS-ADSORPTION; AEROBIC OXIDATION; CUPRIC IONS; DERIVATIVES; MIL-53; EPR; SPECTROSCOPY; BEHAVIOR; LINKER in [Poryvaev, Artem S.; Polyukhov, Daniil M.; Fedin, Matvey V.] RAS, SB, Int Tomog Ctr, Inst Skaya Str 3a, Novosibirsk 630090, Russia; [Gjuzi, Eva; Hoffmann, Frank; Froeba, Michael] Univ Hamburg, Inst Inorgan & Appl Chem, Martin Luther King Pl 6, D-20146 Hamburg, Germany; [Poryvaev, Artem S.; Fedin, Matvey V.] Novosibirsk State Univ, Pirogova Str 2, Novosibirsk 630090, Russia; [Polyukhov, Daniil M.] RAS, SB, NN Vorozhtsov Inst Organ Chem, Novosibirsk 630090, Russia in 2019, Cited 72. The Name is Dimethyl 5-aminoisophthalate. Through research, I have a further understanding and discovery of 99-27-4.

Nanosized structural defects in metal-organic frameworks (MOFs) attract growing attention and often remarkably enhance functional properties of these materials for various applications. In this work, a series of MOFs [Cu-2(TPTA)(1-x)(BDPBTR)(x)] (H(4)TPTA, [1,1′:3′,1 ”-terphenyl]-3,3 ”,5,5 ”-tetracarboxylic acid; H4BDPBTR, 1,3-bis(3,5,dicarboxyphenyl)-1,2,4-benzotriazin-4-yl radical)) with a new stable radical linker doped into the structure has been synthesized and investigated using Electron Paramagnetic Resonance (EPR). Mixed linkers H(4)TPTA and H4BDPBTR were used to bridge copper(II) paddle-wheel units into a porous framework, where H4BDPBTR is the close structural analogue of H(4)TPTA. MOFs with various x = 0-0.4 were investigated. EPR studies indicated that the radical linker binds to the copper(II) units differently compared to diamagnetic linker, resulting in the formation of nanosized structural defects. Moreover, remarkable kinetic phenomena were observed upon cooling of this MOF, where slow structural rearrangements and concomitant changes of magnetic interactions were induced. Thus, our findings demonstrate that doping of structurally mimicking radical linkers into MOFs represents an efficient approach for designing target nanosized defects and introducing new magnetostructural functionalities for a variety of applications.

Name: Dimethyl 5-aminoisophthalate. About Dimethyl 5-aminoisophthalate, If you have any questions, you can contact Poryvaev, AS; Polyukhov, DM; Gjuzi, E; Hoffmann, F; Froba, M; Fedin, MV or concate me.

Reference:
Patent; ASTRA ZENECA AB; NPS PHARMACEUTICALS, INC.; WO2004/14881; (2004); A2;,
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

I found the field of Chemistry very interesting. Saw the article alpha-Branched Ketone Dienolates: Base-Catalysed Generation and Regio- and Enantioselective Addition Reactions published in 2019. HPLC of Formula: C10H11NO4, Reprint Addresses Oiarbide, M; Palomo, C (corresponding author), Univ Pais Vasco UPV EHU, Dept Quim Organ 1, Manuel Lardizabal 3, San Sebastian 20018, Spain.. The CAS is 99-27-4. Through research, I have a further understanding and discovery of Dimethyl 5-aminoisophthalate

In this study, the unique capacity of bifunctional BrOnsted bases to generate alpha-branched ketone dienolates and control both site- and stereoselectivity of their addition reactions to representative classes of carbon electrophiles (i.e., vinyl sulfones, nitroolefins, formaldehyde) is documented. We demonstrate that by using selected chiral tertiary amine/squaramide catalysts, the reactions of beta,gamma-unsaturated cycloalkanones proceed through the dienolate C alpha almost exclusively and provide all-carbon quaternary cyclic ketone adducts in good yields with very high enantioselectivities. A minor amount (<5%) of gamma-addition is observed when nitroolefins are used as electrophiles. The parent acyclic ketone dienolates proved to be less reactive under these conditions, and thus still constitute a challenging class of substrates. Quantum chemical calculations correctly predict these differences in reactivity and explain the observed site-specificity and enantioselectivity. HPLC of Formula: C10H11NO4. About Dimethyl 5-aminoisophthalate, If you have any questions, you can contact Urruzuno, I; Mugica, O; Zanella, G; Vera, S; Gomez-Bengoa, E; Oiarbide, M; Palomo, C or concate me.

Reference:
Patent; ASTRA ZENECA AB; NPS PHARMACEUTICALS, INC.; WO2004/14881; (2004); A2;,
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Authors Boelke, A; Nachtsheim, BJ in WILEY-V C H VERLAG GMBH published article about HYPERVALENT IODINE REAGENTS; ALPHA-TOSYLOXYLATION; KETONES; REACTIVITY; CATALYSIS in [Boelke, Andreas; Nachtsheim, Boris J.] Univ Bremen, Inst Organ & Analyt Chem, D-28359 Bremen, Germany in 2020.0, Cited 40.0. Recommanded Product: 6H-Benzo[c]chromen-6-one. The Name is 6H-Benzo[c]chromen-6-one. Through research, I have a further understanding and discovery of 2005-10-9

The reactivity of ortho-functionalized N-heterocycle-substituted iodoarenes (NHIAs) as organocatalysts in iodine(I/III)-mediated oxidations was systematically investigated in the alpha-tosyloxylation of ketones as the model reaction. During a systematic catalyst evolution, it was found that NH-triazoles and benzoxazoles have the most significant positive influence on the reactivity of the central iodine atom. A further catalyst improvement which focused on the substitution pattern of the arene revealed a remarkable ortho-effect. By introduction of an o-OMe group we were able to generate a novel NHIA with a so far unseen catalytic efficiency. This new catalyst is not only easy to synthesize but also enabled the alpha-tosyloxylation of carbonyl compounds at the lowest reported catalyst loading of only 1 mol%. Finally, the performance of this iodine(I) catalyst was successfully demonstrated in intramolecular oxidative couplings of biphenyls and oxidative rearrangements.

Recommanded Product: 6H-Benzo[c]chromen-6-one. About 6H-Benzo[c]chromen-6-one, If you have any questions, you can contact Boelke, A; Nachtsheim, BJ or concate me.

Reference:
Article; Zhang, Jian; Shi, Dongdong; Zhang, Haifeng; Xu, Zheng; Bao, Hanyang; Jin, Hongwei; Liu, Yunkui; Tetrahedron; vol. 73; 2; (2017); p. 154 – 163;,
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

An article Palladium-Catalyzed Site-Selective Benzocylization of Aromatic Acids with o-Fluoro-Substituted Diaryliodonium Salts toward 3,4-Benzocoumarins WOS:000543669800036 published article about C-F BOND; H DUAL ACTIVATION; CASCADE ANNULATION; CARBOXYLIC-ACIDS; ARYL MIGRATION; ARYLATION; ACCESS; DERIVATIVES; EXTENSION; NITRILES in [Pan, Cheng; Wang, Limin; Han, Jianwei] East China Univ Sci & Technol, Key Lab Adv Mat, Inst Fine Chem, Sch Chem & Mol Engn, Shanghai 200237, Peoples R China; [Pan, Cheng; Wang, Limin; Han, Jianwei] East China Univ Sci & Technol, Feringa Nobel Prize Scientist Joint Res Ctr, Inst Fine Chem, Sch Chem & Mol Engn, Shanghai 200237, Peoples R China; [Han, Jianwei] Chinese Acad Sci, Shanghai Hong Kong Joint Lab Chem Synth, Shanghai Inst Organ Chem, Shanghai 200032, Peoples R China in 2020.0, Cited 68.0. The Name is 6H-Benzo[c]chromen-6-one. Through research, I have a further understanding and discovery of 2005-10-9. Name: 6H-Benzo[c]chromen-6-one

By using 2-fluoro-substituted diaryliodonium salts, a novel benzocylization has been accomplished for the synthesis of 3,4-benzocoumarin derivatives via a cascade of ortho-arylation and defluorination in the presence of palladium catalysts. The reaction exhibits a broad compatibility of readily available aromatic acids with an excellent level of site-selectivity. Mechanistic investigations revealed a unique reactivity of carboxylic acid directed arylation by followed nucleophilic substitution of aromatic fluoride in the present system.

Name: 6H-Benzo[c]chromen-6-one. About 6H-Benzo[c]chromen-6-one, If you have any questions, you can contact Pan, C; Wang, LM; Han, JW or concate me.

Reference:
Article; Zhang, Jian; Shi, Dongdong; Zhang, Haifeng; Xu, Zheng; Bao, Hanyang; Jin, Hongwei; Liu, Yunkui; Tetrahedron; vol. 73; 2; (2017); p. 154 – 163;,
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics