Month: September 2021

An article Trizaine-based dehydrative condensation reagents bearing carbon-substituents WOS:000518870900002 published article about TRIAZINES; AMINES in [Kitamura, Masanori; Komine, Sayaka; Yamada, Kohei; Kunishima, Munetaka] Kanazawa Univ, Fac Pharmaceut Sci, Inst Med Pharmaceut & Hlth Sci, Kakuma Machi, Kanazawa, Ishikawa 9201192, Japan in 2020.0, Cited 24.0. The Name is Methyl 3-phenylpropionate. Through research, I have a further understanding and discovery of 103-25-3. Recommanded Product: Methyl 3-phenylpropionate

Herein, we report on the synthesis of alkyl-, aryl-, and alkynyl-substituted chlorotriazines and their ammonium salts, and demonstrate their utility in dehydrative condensation reactions. Although the electrophilicity of these reagents is mainly dependent on the hybridization of the carbon-substituents, it was found that bulky 2,6-dimethylphenyl group-substituted reagents resulted in the highest product yields because of a slight increase in reagent electrophilicity and/or steric hindrance favorable for desired dehydrative condensation reactions. (C) 2019 Elsevier Ltd. All rights reserved.

Recommanded Product: Methyl 3-phenylpropionate. About Methyl 3-phenylpropionate, If you have any questions, you can contact Kitamura, M; Komine, S; Yamada, K; Kunishima, M or concate me.

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

An article Application of the Movable Type Free Energy Method to the Caspase-Inhibitor Binding Affinity Study WOS:000494798300191 published article about ALZHEIMERS-DISEASE; NEUROFIBRILLARY TANGLES; MOLECULAR DOCKING; HUMAN NEURONS; TAU; CLEAVAGE; PROTEIN; ACTIVATION; APOPTOSIS; DEGENERATION in [Xue, Song] Zhongnan Univ Law & Econ, Sch Stat & Math, Wuhan 430073, Hubei, Peoples R China; [Liu, Hao] Wuhan Univ Technol, Sch Mech & Elect Engn, Wuhan 430070, Hubei, Peoples R China; [Zheng, Zheng] Wuhan Univ Technol, Sch Chem Chem Engn & Life Sci, Wuhan 430070, Hubei, Peoples R China in 2019.0, Cited 57.0. The Name is Methyl 3-phenyl-2-propenoate. Through research, I have a further understanding and discovery of 103-26-4. Category: esters-buliding-blocks

Many studies have provided evidence suggesting that caspases not only contribute to the neurodegeneration associated with Alzheimer’s disease (AD) but also play essential roles in promoting the underlying pathology of this disease. Studies regarding the caspase inhibition draw researchers’ attention through time due to its therapeutic value in the treatment of AD. In this work, we apply the Movable Type (MT) free energy method, a Monte Carlo sampling method extrapolating the binding free energy by simulating the partition functions for both free-state and bound-state protein and ligand configurations, to the caspase-inhibitor binding affinity study. Two test benchmarks are introduced to examine the robustness and sensitivity of the MT method concerning the caspase inhibition complexing. The first benchmark employs a large-scale test set including more than a hundred active inhibitors binding to caspase-3. The second benchmark includes several smaller test sets studying the relative binding free energy differences for minor structural changes at the caspase-inhibitor interaction interfaces. Calculation results show that the RMS errors for all test sets are below 1.5 kcal/mol compared to the experimental binding affinity values, demonstrating good performance in simulating the caspase-inhibitor complexing. For better understanding the protein-ligand interaction mechanism, we then take a closer look at the global minimum binding modes and free-state ligand conformations to study two pairs of caspase-inhibitor complexes with (1) different caspase targets binding to the same inhibitor, and (2) different polypeptide inhibitors targeting the same caspase target. By comparing the contact maps at the binding site of different complexes, we revealed how small structural changes affect the caspase-inhibitor interaction energies. Overall, this work provides a new free energy approach for studying the caspase inhibition, with structural insight revealed for both free-state and bound-state molecular configurations.

About Methyl 3-phenyl-2-propenoate, If you have any questions, you can contact Xue, S; Liu, H; Zheng, Z or concate me.. Category: esters-buliding-blocks

Reference:
Article; Weng, Shiue-Shien; Ke, Chih-Shueh; Chen, Fong-Kuang; Lyu, You-Fu; Lin, Guan-Ying; Tetrahedron; vol. 67; 9; (2011); p. 1640 – 1648;,
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

An article 3D printable robust shape memory PET copolyesters with fire safety via pi-stacking and synergistic crosslinking WOS:000476599900044 published article about FLAME-RETARDANT; EPOXY; NETWORKS; THERMO; POLYURETHANE; DEGRADATION; PYROLYSIS; MALEIMIDE; MECHANISM; STRATEGY in [Chen, Lin; Zhao, Hai-Bo; Ni, Yan-Peng; Fu, Teng; Wu, Wan-Shou; Wang, Xiu-Li; Wang, Yu-Zhong] Sichuan Univ, Natl Engn Lab Ecofriendly Polymer Mat Sichuan, Collaborat Innovat Ctr Ecofriendly & Fire Safety, State Key Lab Polymer Mat Engn,Coll Light Ind Tex, Chengdu 610064, Sichuan, Peoples R China in 2019, Cited 49. SDS of cas: 99-27-4. The Name is Dimethyl 5-aminoisophthalate. Through research, I have a further understanding and discovery of 99-27-4

The practical problems of insufficient mechanical strength, poor processability, tedious synthesis and flammability facing shape memory polymers have limited their further usage in industrial fields, especially in construction and aerospace. A novel and very simple method of ternary polymerization is presented here to prepare multi-functional copolyesters from general poly(ethylene terephthalate) (PET) through the new well-designed third monomer that features pendent phenylacetylene-phenylimide units. The pi-pi stacking between phenylacetylene groups as a reversible net-point not only endows the copolyesters with good shape memory and self-healability, but also reinforces the interchain interaction, leading to high tensile strength (79.6-89.6 MPa). Interestingly enough, the phenylacetylene can synergistically crosslink with the unsaturated C N group generated from the phenylimide during burning, resulting in excellent flame retardancy. Thermoplastic smart copolyesters can be designed into fire alarms and can also be used for 3D printing. The printed geometries exhibit good shape memory behaviors, which could be deformed into a small size to save space during transportation/storage and allow manufacturing freedom for space applications.

SDS of cas: 99-27-4. About Dimethyl 5-aminoisophthalate, If you have any questions, you can contact Chen, L; Zhao, HB; Ni, YP; Fu, T; Wu, WS; Wang, XL; Wang, YZ or concate me.

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

COA of Formula: C5H10O4. Authors Pang, JF; Zhang, B; Jiang, Y; Zhao, Y; Li, CZ; Zheng, MY; Zhang, T in ROYAL SOC CHEMISTRY published article about in [Pang, Jifeng; Zhang, Bo; Jiang, Yu; Zhao, Yu; Li, Changzhi; Zheng, Mingyuan; Zhang, Tao] Chinese Acad Sci, Dalian Inst Chem Phys, CAS Key Lab Sci & Technol Appl Catalysis, Dalian 116023, Peoples R China; [Li, Changzhi; Zheng, Mingyuan] Chinese Acad Sci, Dalian Natl Lab Clean Energy, Dalian, Peoples R China; [Zhang, Tao] Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Catalysis, Dalian 116023, Peoples R China in 2021, Cited 59. The Name is Methyl 2,2-dimethoxyacetate. Through research, I have a further understanding and discovery of 89-91-8

The complete conversion of hemicellulose, cellulose and lignin in lignocellulosic biomass into value-added chemicals is of great significance in biorefinery processes. Herein, a cascade-step strategy was developed for the conversion of hemicellulose and lignin into mixed organic acids, and cellulose into ethylene glycol. Typical biomass of Miscanthus was first treated with formic acid in the presence of H2O2, giving a formic acid solution and cellulosic biomass. Lignin in Miscanthus was oxidized to low polymerized organic acids through linkage cleavages and aromatic ring ruptures during the treatment process, forming a homogeneous formic acid solution with a weight yield of 95%. Hemicellulose was transformed into maleic acid at 56.2% selectivity via a hydrolysis-dehydration-oxidation process. Both hemicellulose and lignin were degraded into organic acids with an overall weight yield of 92.4%. The cellulose in the solid residue had a hydrophilic surface and is highly accessible to catalysts in the aqueous solution, and it was totally converted into ethylene glycol with a yield of up to 65.7% over a binary catalyst of H2WO4-Ru/C. Relying on such a cascade reaction strategy, the three major components of Miscanthus were transformed into mixed organic acids and ethylene glycol, which provides a potential strategy for complete valorisation of biomass into value-added chemicals.

About Methyl 2,2-dimethoxyacetate, If you have any questions, you can contact Pang, JF; Zhang, B; Jiang, Y; Zhao, Y; Li, CZ; Zheng, MY; Zhang, T or concate me.. COA of Formula: C5H10O4

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

Boelke, A; Sadat, S; Lork, E; Nachtsheim, BJ in [Boelke, Andreas; Sadat, Soleicha; Nachtsheim, Boris J.] Univ Bremen, Inst Organ & Analyt Chem, D-28359 Bremen, Germany; [Lork, Enno] Univ Bremen, Inst Inorgan Chem & Crystallog, D-28359 Bremen, Germany published Pseudocyclic bis-N-heterocycle-stabilized iodanes – synthesis, characterization and applications in 2021.0, Cited 47.0. 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.

Bis-N-heterocycle-stabilized lambda(3)-iodanes (BNHIs) based on azoles are introduced as novel structural motifs in hypervalent iodine chemistry. A performance test in a variety of benchmark reactions including sulfoxidations and phenol dearomatizations revealed a bis-N-bound pyrazole substituted BNHI as the most reactive derivative. Its solid-state structure was characterized via X-ray analysis implying strong intramolecular interactions between the pyrazole nitrogen atoms and the hypervalent iodine centre.

About 6H-Benzo[c]chromen-6-one, If you have any questions, you can contact Boelke, A; Sadat, S; Lork, E; Nachtsheim, BJ or concate me.. Computed Properties of C13H8O2

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

Recommanded Product: 6H-Benzo[c]chromen-6-one. In 2020.0 ADV SYNTH CATAL 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. 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

Recently I am researching about C-H FUNCTIONALIZATION; CARBON-DIOXIDE; DUAL CATALYSIS; DRIVEN CARBOXYLATION; UNACTIVATED PRIMARY; BUILDING-BLOCK; BONDS; HALIDES; ACIDS; HYDROCARBOXYLATION, Saw an article supported by the DST, SERB, Government of India via the Ramanujan fellowship [SR/S2/RJN-97/2012]; UGCUniversity Grants Commission, India; CSIRCouncil of Scientific & Industrial Research (CSIR) – India; DSTDepartment of Science & Technology (India); DST, SERB, Government of India, via the Extramural Research Grant [EMR/2014/000469]. Published in AMER CHEMICAL SOC in WASHINGTON ,Authors: Bhunia, SK; Das, P; Nandi, S; Jana, R. The CAS is 2005-10-9. Through research, I have a further understanding and discovery of 6H-Benzo[c]chromen-6-one. Category: esters-buliding-blocks

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.

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.. Category: esters-buliding-blocks

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 3D printable robust shape memory PET copolyesters with fire safety via pi-stacking and synergistic crosslinking WOS:000476599900044 published article about FLAME-RETARDANT; EPOXY; NETWORKS; THERMO; POLYURETHANE; DEGRADATION; PYROLYSIS; MALEIMIDE; MECHANISM; STRATEGY in [Chen, Lin; Zhao, Hai-Bo; Ni, Yan-Peng; Fu, Teng; Wu, Wan-Shou; Wang, Xiu-Li; Wang, Yu-Zhong] Sichuan Univ, Natl Engn Lab Ecofriendly Polymer Mat Sichuan, Collaborat Innovat Ctr Ecofriendly & Fire Safety, State Key Lab Polymer Mat Engn,Coll Light Ind Tex, Chengdu 610064, Sichuan, Peoples R China in 2019, Cited 49. The Name is Dimethyl 5-aminoisophthalate. Through research, I have a further understanding and discovery of 99-27-4. Name: Dimethyl 5-aminoisophthalate

The practical problems of insufficient mechanical strength, poor processability, tedious synthesis and flammability facing shape memory polymers have limited their further usage in industrial fields, especially in construction and aerospace. A novel and very simple method of ternary polymerization is presented here to prepare multi-functional copolyesters from general poly(ethylene terephthalate) (PET) through the new well-designed third monomer that features pendent phenylacetylene-phenylimide units. The pi-pi stacking between phenylacetylene groups as a reversible net-point not only endows the copolyesters with good shape memory and self-healability, but also reinforces the interchain interaction, leading to high tensile strength (79.6-89.6 MPa). Interestingly enough, the phenylacetylene can synergistically crosslink with the unsaturated C N group generated from the phenylimide during burning, resulting in excellent flame retardancy. Thermoplastic smart copolyesters can be designed into fire alarms and can also be used for 3D printing. The printed geometries exhibit good shape memory behaviors, which could be deformed into a small size to save space during transportation/storage and allow manufacturing freedom for space applications.

About Dimethyl 5-aminoisophthalate, If you have any questions, you can contact Chen, L; Zhao, HB; Ni, YP; Fu, T; Wu, WS; Wang, XL; Wang, YZ or concate me.. Name: Dimethyl 5-aminoisophthalate

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

SDS of cas: 2005-10-9. In 2019.0 CHEM-EUR J published article about ELECTRON-TRANSFER PROCESS; Z ISOMERIZATION; PHOTOOXIDATIVE DECARBOXYLATION; PHOTOCATALYTIC E; PI INTERACTIONS; ACTIVATION; OXIDATION; CLEAVAGE in [Hauptmann, Richy; Petrosyan, Andranik; Cordero, Miguel A. Argueello; Surkus, Annette-E; Pospech, Jola] Univ Rostock, Leibniz Inst Catalysis, Albert Einstein Str 29a, D-18059 Rostock, Germany; [Fennel, Franziska; Cordero, Miguel A. Argueello] Univ Rostock, Inst Phys, Dynam Mol Syst, Albert Einstein Str 23-24, D-18059 Rostock, Germany in 2019.0, Cited 33.0. The Name is 6H-Benzo[c]chromen-6-one. Through research, I have a further understanding and discovery of 2005-10-9.

Herein we report the photo- and electrochemical characterization of pyrimidopteridine N-oxide-based heterocycles. The potential of their application as organic photoredox catalysts is showcased in the photomediated contra-thermodynamic E -> Z isomerization of cinnamic acid derivatives and oxidative cyclization of 2-phenyl benzoic acid to benzocoumarin using molecular oxygen as a mild oxidant. Furthermore, unprecedented intermolecular non-covalent n-pi-hole interactions in solid state are discussed based on crystallographic and theoretical data.

About 6H-Benzo[c]chromen-6-one, If you have any questions, you can contact Hauptmann, R; Petrosyan, A; Fennel, F; Cordero, MAA; Surkus, AE; Pospech, J or concate me.. SDS of cas: 2005-10-9

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

Authors Kiani, M; Bagherzadeh, M; Meghdadi, S; Fadaei-Tirani, F; Schenk-Joss, K; Rabiee, N in WILEY published article about CROSS-COUPLING REACTION; IONIC LIQUIDS; MIZOROKI-HECK; CRYSTAL-STRUCTURES; PALLADIUM(II) COMPLEXES; ANTICANCER AGENTS; FACILE SYNTHESIS; LIGAND; EFFICIENT; NANOPARTICLES in [Kiani, Mahsa; Bagherzadeh, Mojtaba; Rabiee, Navid] Sharif Univ Technol, Dept Chem, Tehran 111553516, Iran; [Meghdadi, Soraya] Isfahan Univ Technol, Dept Chem, Esfahan 8415683111, Iran; [Fadaei-Tirani, Farzaneh] Ecole Polytech Fed Lausanne, Inst Chem Sci & Engn, CH-1015 Lausanne, Switzerland; [Schenk-Joss, Kurt] Ecole Polytech Fed Lausanne, Inst Phys, CH-1015 Lausanne, Switzerland in 2020.0, Cited 76.0. Recommanded Product: 103-26-4. The Name is Methyl 3-phenyl-2-propenoate. Through research, I have a further understanding and discovery of 103-26-4

The complexes Pd-II(qcq)(OAc) and Pt-II(qcq)Cl have been synthesized using environmentally benign synthesized ligands and characterized by elemental analyses: Fourier transform infrared spectroscopy, UV-visible spectroscopy, H-1 NMR spectroscopy, and X-ray diffraction. The catalytic activity of the complex was assessed, in different media, for the Mizoroki-Heck coupling reaction for typical aryl halides and terminal olefins under aerobic conditions. Since the base and the solvent were found to influence the efficiency of the reaction, reaction conditions, temperature, time, and the amount of K3PO4 and a mixture of H2O/PEG, were optimized. We found, for the Mizoroki-Heck reaction coupling less reactive aryl chloride derivatives with olefins, promising activity for palladium catalysts. The electrochemical behavior of Hqcq and the Pd(II) complex was investigated by cyclic voltammetry and irreversible Pd-II/I reductions were observed. Hqcq and the Pd(II) and Pt(II) complexes were also screened for their in vitro antibacterial activity. They showed promising antibacterial activity comparable to that of the antibiotic penicillin.

About Methyl 3-phenyl-2-propenoate, If you have any questions, you can contact Kiani, M; Bagherzadeh, M; Meghdadi, S; Fadaei-Tirani, F; Schenk-Joss, K; Rabiee, N or concate me.. Recommanded Product: 103-26-4

Reference:
Article; Weng, Shiue-Shien; Ke, Chih-Shueh; Chen, Fong-Kuang; Lyu, You-Fu; Lin, Guan-Ying; Tetrahedron; vol. 67; 9; (2011); p. 1640 – 1648;,
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics