Month: October 2021

In 2020.0 TETRAHEDRON published article about ELECTRON-TRANSFER; HYDRIDE; IONS; DYES; AGGREGATION; REDUCTION; ROSAMINE; PROTON in [Meyer, Samantha M.; Charlesworth-Seiler, Eva M.; Patrow, Joel G.; Kitzrow, Jonathan P.; Gerlach, Deidra L.; Dahl, Bart J.] Univ Wisconsin, Dept Chem, Eau Claire, WI 54702 USA; [Reinheimer, Eric W.] Rigaku Amer Corp, 9009 New Trails Dr, The Woodlands, TX 77381 USA 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. COA of Formula: C13H8O2

This report describes the synthesis of five new colorful 6-aryldibenzo[b,d]pyrylium cation salts, a largely unexplored structural unit. These rare compounds are benzannulated structural derivatives of the well-known flavylium cations found widespread in natural pigments. These new dyes are directly compared to three previously synthesized 6-aryldibenzo[b,d]pyrylium cation salts as well as eight colorful isomeric 9-aryldibenzo[b,d]pyrylium cation, or 9-arylxanthylium, salts. The 9-arylxanthylium unit is commonly found in the biologically important rhodamine and rosamine dyes, yet six of the analogs presented in this study were either previously unreported or not isolated. The visual and spectroscopic properties of all 16 compounds were analyzed as a function of the structural differences between the compounds. All compounds displayed reversible halochromism in organic solution, displaying bright colors under acidic conditions and becoming colorless under basic conditions. (C) 2020 Elsevier Ltd. All rights reserved.

About 6H-Benzo[c]chromen-6-one, If you have any questions, you can contact Meyer, SM; Charlesworth-Seiler, EM; Patrow, JG; Kitzrow, JP; Gerlach, DL; Reinheimer, EW; Dahl, BJ or concate me.. COA of Formula: 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: 103-25-3. In 2021.0 J CHEM RES published article about HIGHLY EFFICIENT; DIRECT AMIDATION; ESTERIFICATION; DERIVATIVES; OXIDATION; CATALYSIS; AMIDES; AMINES; GREEN; CONVERSION in [Wu, Xiaofang; Zhou, Lei; Li, Fangshao; Xiao, Jing] Hunan Univ Sci & Technol, Key Lab Theoret Organ Chem & Funct Mol, Minist Educ, Sch Chem & Chem Engn, Hunan Xiangtan Taoyuan Rd, Xiangtan 411201, Peoples R China in 2021.0, Cited 56.0. The Name is Methyl 3-phenylpropionate. Through research, I have a further understanding and discovery of 103-25-3.

A PCl3-mediated conversion of tert-butyl esters into esters and amides in one-pot under air is developed. This novel protocol is highlighted by the synthesis of skeletons of bioactive molecules and gram-scale reactions. Mechanistic studies revealed that this transformation involves the formation of an acid chloride in situ, which is followed by reactions with alcohols or amines to afford the desired products.

Recommanded Product: 103-25-3. About Methyl 3-phenylpropionate, If you have any questions, you can contact Wu, XF; Zhou, L; Li, FS; Xiao, J or concate me.

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

Formula: C10H12O2. An, JH; Wang, YH; Zhang, ZX; Zhang, J; Gocyla, M; Dunin-Borkowski, RE; Wang, F in [An, Jinghua; Wang, Yehong; Zhang, Zhixin; Zhang, Jian; Wang, Feng] Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Catalysis, Dalian Natl Lab Clean Energy, Dalian 116023, Liaoning, Peoples R China; [An, Jinghua] Univ Chinese Acad Sci, Beijing 100049, Peoples R China; [Gocyla, Martin; Dunin-Borkowski, Rafal E.] Forschungszentrum Julich, Ernst Ruska Ctr Microscopy & Spect Electron, D-52425 Julich, Germany; [Gocyla, Martin; Dunin-Borkowski, Rafal E.] Forschungszentrum Julich, Peter Grunberg Inst, D-52425 Julich, Germany published Linear-regioselective hydromethoxycarbonylation of styrene using Ru-clusters/CeO2 catalyst in 2020.0, Cited 45.0. The Name is Methyl 3-phenylpropionate. Through research, I have a further understanding and discovery of 103-25-3.

Hydroalkoxycarbonylation of olefins has been considered to be one of the most attractive methods to synthesize esters. Controlling the regioselectivities of linear esters (L) and branched esters (B) is a challenging project for researchers working in this reaction. Although most of the attention has been paid to control the regioselectivity through ligand design in homogeneous catalytic systems, study in the area is still limited. Herein, Ru-clusters/CeO2 is employed as a heterogeneous catalyst for the hydromethoxycarbonylation of styrene without any additives. After optimization of the reaction conditions, the conversion of styrene is > 99% with 83% and 12% regioselectivity of linear and branched ester, respectively. By using different supports (CeO2 (nanoparticle), CeO2-rod, and CeO2-cube), three catalysts including Ru-clusters/CeO2, Ru/CeO2-rod, and Ru/CeO2-cube are prepared and applied in the reaction. Structural characterizations demonstrate that the L/B ratio is related to the Ru size of supported Ru catalysts. Further Raman characterization and NH3-TPD demonstrate that the metal-support interaction and the concentration of oxygen vacancy of the catalyst have a great influence on the Ru size. The mechanism and kinetic analysis for this reaction are also investigated in this work. (C) 2020, Dalian Institute of Chemical Physics, Chinese Academy of Sciences. Published by Elsevier B.V. All rights reserved.

Formula: C10H12O2. About Methyl 3-phenylpropionate, If you have any questions, you can contact An, JH; Wang, YH; Zhang, ZX; Zhang, J; Gocyla, M; Dunin-Borkowski, RE; Wang, F or concate me.

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

Recently I am researching about ANTIOXIDANT ACTIVITY; CAFFEIC ACID; MELANOGENESIS; EUGENOL; MELANIN; IMAGE; ESTER, Saw an article supported by the Sao Paulo Research Foundation FAPESPFundacao de Amparo a Pesquisa do Estado de Sao Paulo (FAPESP) [2016/25028-3, 2018/03918-2]; National Council for Scientific and Technological Development – CNPqConselho Nacional de Desenvolvimento Cientifico e Tecnologico (CNPQ) [306355/2018-3]; Coordination of Superior Level Staff Improvement CAPES [001]. Recommanded Product: Methyl 3-phenyl-2-propenoate. Published in ACADEMIC PRESS INC ELSEVIER SCIENCE in SAN DIEGO ,Authors: Varela, MT; Ferrarini, M; Mercaldi, VG; Sufi, BD; Padovani, G; Nazato, LIS; Fernandes, JPS. The CAS is 103-26-4. Through research, I have a further understanding and discovery of Methyl 3-phenyl-2-propenoate

p-Coumaric acid is a known inhibitor of tyrosinase, an enzyme involved in the initial steps of the melanin synthesis in human and other species. However, its low lipophilicity impairs its penetration through skin and efficacy as antimelanogenic agent indeed. Accordingly, this paper reports the assessment of several coumaric acid derivatives as tyrosinase inhibitors and antimelanogenic agents in in vitro, in silico and ex vivo assays. The compounds were designed with modifications in the aromatic and acid moieties of p-coumaric acid, being the coumarate esters the most promising derivatives. The compounds showed higher tyrosinase inhibitory activity (pIC(50), 3.7-4.2) than the parent acid, being compounds 1d, 1e and 1f the most potent inhibitors. Docking analysis showed that these esters are competitive inhibitors per se, and act independently of a redox mechanism as suggested by DPPH assays. Moreover, the esters showed efficacy in reducing the melanin deposition in human skin fragments at 0.1% concentration, especially compound le. In summary, there is an important equilibria between tyrosinase affinity and lipophilicity that must be considered to get effective antimelanogenic agents with adequate permeability in the skin.

About Methyl 3-phenyl-2-propenoate, If you have any questions, you can contact Varela, MT; Ferrarini, M; Mercaldi, VG; Sufi, BD; Padovani, G; Nazato, LIS; Fernandes, JPS or concate me.. Recommanded Product: Methyl 3-phenyl-2-propenoate

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

In 2019.0 BIOORG MED CHEM LETT published article about ACIDS in [Kozlov, Maxim, V; Konduktorov, Konstantin A.; Shcherbakova, Anastasia S.; Kochetkov, Sergey N.] Russian Acad Sci, Engelhardt Inst Mol Biol, Vavilova 32, Moscow 119991, Russia in 2019.0, Cited 23.0. The Name is Methyl 3-phenylpropionate. Through research, I have a further understanding and discovery of 103-25-3. Application In Synthesis of Methyl 3-phenylpropionate

N’-Propylhydrazide analogs of hydroxamic inhibitors of histone deacetylases (HDACs), including tubastatin A, vorinostat and belinostat, were synthesized. All prepared compounds inhibited HDAC1/2/3, but not HDAC6, except for one hydrazide analog of HDAC4/5/7 inhibitor that was completely inactive. A novel 4-substituted derivative of N’-propylbenzohydrazide with extremely high anti-HCV activity was discovered.

Application In Synthesis of Methyl 3-phenylpropionate. About Methyl 3-phenylpropionate, If you have any questions, you can contact Kozlov, MV; Konduktorov, KA; Shcherbakova, AS; Kochetkov, SN or concate me.

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

I found the field of Chemistry very interesting. Saw the article Multiresponsive Luminescent Sensitivities of a 3D Cd-CP with Visual Turn-on and Ratiometric Sensing toward Al3+ and Cr3+ as Well as Turn-off Sensing toward Fe3+ published in 2020. Application In Synthesis of Dimethyl 5-aminoisophthalate, Reprint Addresses Li, YW; Wang, SN (corresponding author), Liaocheng Univ, Sch Chem & Chem Engn, Shandong Prov Key Lab Chem Energy Storage & Novel, Liaocheng 252059, Shandong, Peoples R China.. The CAS is 99-27-4. Through research, I have a further understanding and discovery of Dimethyl 5-aminoisophthalate

By using the reduced Schiff base tricarboxylate ligand H(3)cip, one novel 3D Cd-based coordination polymer (Cd-CP) with the formula [Cd(Hcip)(bpea)(0.5)(H2O)](n) (H(3)cip = 5-(3-carboxybenzylamino)isophthalic acid, bpea = 1,2-bis(4-pyridyl)ethane) has been solvothermally synthesized. The prepared Cd-CP possesses a 4-connected CdSO4 net based on dinuclear {Cd-2} units. Luminescence measurements revealed that the complex exhibited ratiometric turn-on luminescence responses toward Al3+ and Cr3+ with a significant color change, which could be easily distinguished by the naked eye under ultraviolet light. Cd-CP can also respond to Fe3+ through a turn-off mechanism. Interestingly, the luminescence quenched by Fe3+@Cd-CP can be recovered and increased significantly by adding some competitive Al3+, while Cr3+ can only marginally increase the luminescence intensity of Fe3+@Cd-CP. Moreover, the detection of the three aforementioned metal ions can be realized by using Cd-CP-coated test papers, extending the potential application regions of the reported material to point-of-care tests and environmental field studies.

Application In Synthesis of Dimethyl 5-aminoisophthalate. About Dimethyl 5-aminoisophthalate, If you have any questions, you can contact Yu, YE; Wang, YH; Yan, H; Lu, J; Liu, HT; Li, YW; Wang, SN; Li, DC; Dou, JM; Yang, L; Zhou, Z or concate me.

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

Authors Chen, W; Zuo, HL; Li, YX; Liu, J; Zhou, XL in SCIENCE PRESS published article about SANGUINARINE; SALTS in [Chen, Wei; Zuo, Huailong; Liu, Jiang; Zhou, Xianli] Southwest Jiaotong Univ, Sch Lifer Sci & Engn, Chengdu 610031, Sichuan, Peoples R China; [Li, Yuxin] Nankai Univ, State Key Lab Elementoorgan Chem, Tianjin 300071, Peoples R China in 2019, Cited 17. Computed Properties of C10H11NO4. The Name is Dimethyl 5-aminoisophthalate. Through research, I have a further understanding and discovery of 99-27-4

In order to discover more potent antifungal, a series of 2-aryl-3,4-dihydroisoquinolin-2-iums were reasonable designed and productive synthesized by introducing benzoic acid and phenol pharmacophores into the 2-position of isoquinoline. Their structures were identified by NMR and HRMS. The preliminary in vitro antifungal results showed that most of the title compounds exhibited moderate to significant inhibitory activities against various phytopathogenic fungi at 50 mu g.mL(-1), and were equal to controls (chlorothalonil, carbendazim). The concentration of 50% inhibition rate (EC50]) of 2-(3-ethoxycarbonyl-phenyl)-3,4-dihydroisoquinolin-2-ium (4j) against R. solani was 3.8495 mu g.mL(-1), which was significantly superior to chlorothalonil (4.6328 mu g.mL(-1)). All the EC50 values of 5 compounds (7.4583 similar to 15.4495 mu g.mL(-1)) against R. cerealis were better than chlorothalonil (16.0137 mu g.mL(-1)), and 2-(4-methoxycarbonylphenyl)-3,4-dihydroisoquinolin-2-ium (4f) is the best one. The present results provide valuable information for development of plant-based antifungal agents.

Computed Properties of C10H11NO4. About Dimethyl 5-aminoisophthalate, If you have any questions, you can contact Chen, W; Zuo, HL; Li, YX; Liu, J; Zhou, XL or concate me.

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

Recommanded Product: 6H-Benzo[c]chromen-6-one. Vriza, A; Canaj, AB; Vismara, R; Cook, LJK; Manning, TD; Gaultois, MW; Wood, PA; Kurlin, V; Berry, N; Dyer, MS; Rosseinsky, MJ in [Vriza, Aikaterini; Canaj, Angelos B.; Vismara, Rebecca; Cook, Laurence J. Kershaw; Manning, Troy D.; Gaultois, Michael W.; Berry, Neil; Dyer, Matthew S.; Rosseinsky, Matthew J.] Univ Liverpool, Dept Chem, 51 Oxford St, Liverpool L7 3NY, Merseyside, England; [Vriza, Aikaterini; Canaj, Angelos B.; Vismara, Rebecca; Cook, Laurence J. Kershaw; Manning, Troy D.; Gaultois, Michael W.; Berry, Neil; Dyer, Matthew S.; Rosseinsky, Matthew J.] Univ Liverpool, Mat Innovat Factory, 51 Oxford St, Liverpool L7 3NY, Merseyside, England; [Vriza, Aikaterini; Gaultois, Michael W.; Dyer, Matthew S.; Rosseinsky, Matthew J.] Univ Liverpool, Leverhulme Res Ctr Funct Mat Design, Oxford St, Oxford, England; [Wood, Peter A.] Cambridge Crystallog Data Ctr, 12 Union Rd, Cambridge CB2 1EZ, England; [Kurlin, Vitaliy] Univ Liverpool, Dept Comp Sci, Mat Innovat Factory, Liverpool L69 3BX, Merseyside, England published One class classification as a practical approach for accelerating pi-pi co-crystal discovery in 2021.0, Cited 81.0. The Name is 6H-Benzo[c]chromen-6-one. Through research, I have a further understanding and discovery of 2005-10-9.

The implementation of machine learning models has brought major changes in the decision-making process for materials design. One matter of concern for the data-driven approaches is the lack of negative data from unsuccessful synthetic attempts, which might generate inherently imbalanced datasets. We propose the application of the one-class classification methodology as an effective tool for tackling these limitations on the materials design problems. This is a concept of learning based only on a well-defined class without counter examples. An extensive study on the different one-class classification algorithms is performed until the most appropriate workflow is identified for guiding the discovery of emerging materials belonging to a relatively small class, that being the weakly bound polyaromatic hydrocarbon co-crystals. The two-step approach presented in this study first trains the model using all the known molecular combinations that form this class of co-crystals extracted from the Cambridge Structural Database (1722 molecular combinations), followed by scoring possible yet unknown pairs from the ZINC15 database (21 736 possible molecular combinations). Focusing on the highest-ranking pairs predicted to have higher probability of forming co-crystals, materials discovery can be accelerated by reducing the vast molecular space and directing the synthetic efforts of chemists. Further on, using interpretability techniques a more detailed understanding of the molecular properties causing co-crystallization is sought after. The applicability of the current methodology is demonstrated with the discovery of two novel co-crystals, namely pyrene-6H-benzo[c]chromen-6-one (1) and pyrene-9,10-dicyanoanthracene (2).

Recommanded Product: 6H-Benzo[c]chromen-6-one. About 6H-Benzo[c]chromen-6-one, If you have any questions, you can contact Vriza, A; Canaj, AB; Vismara, R; Cook, LJK; Manning, TD; Gaultois, MW; Wood, PA; Kurlin, V; Berry, N; Dyer, MS; Rosseinsky, MJ 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 Silica-Supported Mn-II Sites as Efficient Catalysts for Carbonyl Hydroboration, Hydrosilylation, and Transesterification WOS:000489670500001 published article about PHASE SELECTIVE HYDROGENATION; MOLECULAR PRECURSOR; ENANTIOSELECTIVE EPOXIDATION; SUBSTRATE SCOPE; MANGANESE; CHEMISTRY; KETONES; ACTIVATION; ALDEHYDES; NICKEL in [Ghaffari, Behnaz; Mendes-Burak, Jorge; Chan, Ka Wing; Coperet, Christophe] Swiss Fed Inst Technol, Dept Chem & Appl Biosci, Vladimir Prelog Weg 1-5, CH-8093 Zurich, Switzerland in 2019.0, Cited 72.0. The Name is Methyl 3-phenyl-2-propenoate. Through research, I have a further understanding and discovery of 103-26-4. Recommanded Product: 103-26-4

Manganese, the third most abundant transition-metal element after iron and titanium, has recently been demonstrated to be an effective homogeneous catalyst in numerous reactions. Herein, the preparation of silica-supported Mni(II) sites is reported using Surface Organometallic Chemistry (SOMC), combined with tailored thermolytic molecular precursors approach based on Mn-2[OSi(OtBu)(3)](4) and ZMn{N(SiMe3)(2)}(2)THF. These supported Mn-II sites, free of organic ligands, efficiently catalyze numerous reactions: hydroboration and hydrosilylation of ketones and aldehydes as well as the transesterification of industrially relevant substrates.

Recommanded Product: 103-26-4. About Methyl 3-phenyl-2-propenoate, If you have any questions, you can contact Ghaffari, B; Mendes-Burak, J; Chan, KW; Coperet, C or concate me.

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

Authors Osanloo, M; Sedaghat, MM; Sereshti, H; Rahmani, M; Landi, FS; Amani, A in UNIV KASHAN PRESS published article about CHEMICAL-COMPOSITION; NANOPARTICLES PREPARATION; ANOPHELES-STEPHENSI; ANTIFUNGAL ACTIVITY; AEDES-AEGYPTI; ENCAPSULATION; CONSTITUENTS; NANOEMULSION; RELEASE in [Osanloo, Mahmoud] Fasa Univ Med Sci, Sch Adv Technol Med, Dept Med Nanotechnol, Fasa, Iran; [Sedaghat, Mohammad Mehdi; Rahmani, Mahya] Univ Tehran Med Sci, Sch Publ Hlth, Dept Med Entomol & Vector Control, Tehran, Iran; [Sereshti, Hassan] Univ Tehran, Fac Sci, Dept Chem, Tehran, Iran; [Osanloo, Mahmoud; Landi, Farzaneh Saeedi; Amani, Amir] North Khorasan Univ Med Sci, Nat Prod & Med Plants Res Ctr, Bojnurd, Iran; [Amani, Amir] Univ Tehran Med Sci, Med Biomat Res Ctr, Tehran, Iran in 2019.0, Cited 48.0. COA of Formula: C10H10O2. The Name is Methyl 3-phenyl-2-propenoate. Through research, I have a further understanding and discovery of 103-26-4

Frequent use of synthetic larvicides has led to the development of resistance in many species of mosquitoes as well as risk of environmental pollution. Recently, encapsulating essential oils (EOs) in surfactants or polymers is being employed as an approach to control the volatility of EOs as green larvicides. In this research, components of tarragon (Artemisia dracunculus) essential oil were identified by GC-MS analysis. Fortyeight components were identified, with 5 major components including estragole (67.623%), cis-Ocimene (8.691%), beta-Ocimene Y (7.577%), Limonene (4.338%) and 3-Methoxy cinnam aldehyde (1.49%). Tarragon EO was encapsulated in chitosan nanocapsules using ionic gelation method and confirmed by FT-IR analysis. Encapsulation efficiency and size of the chitosan nanocapsules were determined 34.91 +/- 2% and 203 +/- 16 nm, respectively. For the first time, a long-lasting green larvicide was reported which remained active for 10 days, against Anopheles stephensi. Furthermore, cytotoxicity of the nanoformulation was found to be similar to that of temephos on human skin normal cells (HFFF2). This nanoformulation can be a good alternative for synthetic larvicides due to its long-lasting activity, proper effectiveness and also its green constituents.

COA of Formula: C10H10O2. About Methyl 3-phenyl-2-propenoate, If you have any questions, you can contact Osanloo, M; Sedaghat, MM; Sereshti, H; Rahmani, M; Landi, FS; Amani, A or concate me.

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