Category: 112-63-0

Chen, Xiang; Ohdoi, Keisuke; Yamamoto, Yohsuke; Akiba, Kinya published the artcile< Synthesis, halogenolysis, and crystal structure of hypervalent organobismuth compounds (10-Bi-5)>, Reference of 112-63-0, the main research area is halogenolysis hypervalent organobismuth; bismuth organo hypervalent crystal structure; mol structure hypervalent organobismuth; bismuthane structure.

The stable 10-Bi-5 compounds [o-C6H4C(CF3)2O]BiAr2R [3 (Ar, R): 3a, p-CH3C6H4, p-CH3C6H4; 3b, p-CF3C6H4, p-CF3C6H4; 3c, p-FC6H4, p-FC6H4; 3d, p-CH3C6H4, p-CF3C6H4; 3e, p-CF3C6H4, p-CH3C6H4; 3f, p-CH3C6H4, PhC椤氬æŒ? 3g, p-CH3C6H4, Me] were synthesized. The x-ray structures of 3a, f, g showed distorted trigonal-bipyramidal geometries, and the electroneg. apical PhC椤氬æŒ?ligand of 3f made the apical Bi-O bond (2.243(3) é‘? shorter than the Bi-O bond of 3a, g (2.323(4) é‘?in 3a and 2.328(7) é‘?in 3g). Halogenolysis of 3 with sulfuryl chloride or pyridinium bromide perbromide gave the five-coordinate bismuth compounds [o-C6H4C(CF3)2O]BiAr1Ar2X [6 (Ar1, Ar2, X): 6a, p-CH3C6H4, p-CH3C6H4, Cl; 6b, p-CF3C6H4, p-CF3C6H4, Cl; 6c, p-FC6H4, p-FC6H4, Cl; 6d, p-CH3C6H4, p-CH3C6H4, Br; 6e, p-CH3C6H4, p-CF3C6H4, Cl; 6f; p-CH3C6H4, p-CF3C6H4, Br] in good to quant. yield with apical covalent Bi-halogen bonds which were clearly shown by the X-ray anal. of 6a, b, d, e. The reactivity order of 3 for the halogenolysis was as follows: PhC椤氬挵Bi > MeBi > p-CH3C6H4Bi > p-CF3C6H4Bi. Direct halogenolysis was as follows: PhC椤氬挵Bi > MeBi > p-CH3C6H4Bi > p-CF3C6H4Bi. Direct halogenolysis of the bismuth-carbon bond was suggested. The variable-temperature 19F NMR of unsym. substituted 6e, f did not show coalescence of the CF3 groups up to 170 鎺矯 in a dilute solution of toluene-d8, and the energies of inversion at the bismuth atom should be higher than 21 kcal mol-1 at 170 鎺矯.

Organometallics published new progress about Crystal structure. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Reference of 112-63-0.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Barkow, Anja; Pilotek, Steffen; Gruetzmacher, Hans-Friefrich published the artcile< Ortho effects: a mechanistic study>, Product Details of C19H34O2, the main research area is fragmentation alkylbenzene derivative ortho effect; MIKE spectra alkylbenzene derivative; kinetic energy release MIKES alkylbenzenes.

The fragmentation mechanism in the loss of a water mol. from the radical cations of 2-methylbenzyl alc., 2-methylbenzoic acid, and some related compounds by an ortho effect is studied. The anal. of the MIKE spectra together with specific deuterium labeling studies and assisted by semiempirical calculations reveal a continuous spectrum of mechanisms of the ortho effect ranging from a two-step mechanism with a rate determining final loss of the neutral fragment and a rate determining 1,5-hydrogen transfer in the first step entailing a large activation energy to a presumably concerted 1,4-elimination with a more or less asym. high energy transition state. These mechanisms cause a different behavior of metastable ions with respect to the kinetic energy release (KER) during the fragmentation by an ortho effect. In case of a rate determining last step as established for the 1,4-elimination of NH3 from the mol. ions of 2-methylbenzylamine, the absence of a reversed activation energy ensures “”normal”” KER behavior and narrow Gaussian shaped peaks in the MIKE spectra. The other mechanisms of the ortho effect exhibit a significant reverse activation energy originating in a barrier to the initial 1,5-hydrogen transfer of the ortho effect. Consequently, large values of the KER are observed for this elimination process in the MIKE spectra of the precursor ions. However, the kinetic energy release distribution (KERD) during the dissociation depends on the stability of the intermediate distonic ion created by the 1,5-hydrogen migration. A well-defined and stable distonic ion as an intermediate leads to flat topped peaks and a large KER which is typically observed for the elimination of H2O in the MIKE spectra of the mol. ions of 2-methylbenzyl alc. and related 2-alkylbenzyl alcs. In the case of very short lifetime of the intermediate ion generated by the initial 1,5-hydrogen shift the mechanism cannot be distinguished from a concerted 1,4-elimination of H2O with a more or less asym. transition state. This situation is typical for the fragmentation of ionized 2-methylbenzoic acid and related 2-alkylbenzoic acids, and a broad, nearly triangular signal is observed in the MIKE spectrum of these mol. ions.

European Mass Spectrometry published new progress about Fragmentation reaction. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Product Details of C19H34O2.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Zhao, Bowen; Si, Yubing; Guo, Wei; Fu, Yongzhu published the artcile< Insoluble Naphthoquinone-Derived Molecular Cathode for High-Performance Lithium Organic Battery>, Recommanded Product: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is insoluble naphthoquinone mol cathode lithium organic battery.

Organic electrode materials have attracted significant attention for rechargeable lithium organic batteries owing to the anticipated electrochem. property and environmentally friendly features. Benzoquinone and naphthoquinone as the simplest quinone substances have been considered as promising cathode materials because of their high theor. specific capacities and discharge voltages. However, they are soluble in most organic liquid electrolytes, which results in poor electrochem. performance. Herein, a novel mol. cathode material based on naphthoquinone, i.e., 2,2é–?(1,4-phenylenedithio) bis(1,4-naphthoquinone) (1,4-PNQ), is designed and synthesized. It shows greatly decreased solubility as a result of strong intermol. interactions. In a lithium half cell, it exhibits high carbonyl utilization of close to 100% with a high initial capacity of 231 mAh g-1. Meanwhile, 1,4-PNQ presents improved cyclability, retaining a high capacity of 185 mAh g-1 after 120 cycles. Remarkably, it retains 93.5% of the initial capacity after 500 cycles at 5 C rate. This work provides a novel mol. design strategy to develop naphthoquinone-derived cathode materials for high performance lithium organic batteries.

Advanced Functional Materials published new progress about Battery cathodes. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Recommanded Product: (9Z,12Z)-Methyl octadeca-9,12-dienoate.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Subin, Anitha Jose published the artcile< A study on adverse drug reactions of anti-retroviral therapy in hiv positive patients in a tertiary care hospital in North East Part of India>, SDS of cas: 112-63-0, the main research area is zidovudine lamivudine efavirenz nevirapine antiretroviral drug toxicity population.

Present study deals with Adverse Drug Reactions on Anti-Retroviral Therapy in HIV pos. patients. Anti-Retroviral Drugs, no matter how safe and efficacious, are always coupled with inescapable risk of adverse reactions. Health care professionals should be alerted to assess adverse drug reactions after advising patients on which drugs to use. Present research work was a retrospective observational study carried out in Nodal ART center located in Guwahati Medical College Hospital, which is the largest and undoubtedly the most advanced tertiary care Govt. hospital of the entire north-east, catering to millions of people in this region. 575 HIV pos. patients were enrolled into the study who were on ART. Majority of the population comprise of males and the significant association between incidence of Adverse Drug Reactions and various factors like Gender, mean CD4 cell count and BMI is evaluated using Fischer’s exact test. Gastrointestinal system related ADRs were found to be the most prominent followed by CNS and skin related ADRs. Various drug regimens were checked for its toxicity potential and Zidovudine+ Lamivudine+ Efavirenz regimen was found to be most offending. Substitution of regimens due to toxicity was extensively studied. Causality assessment by Naranjo Scale, Severity assessment by Hartwig scale and Preventability assessment by Schumock and Thorntan ADR preventability scale were done for individual ADRs and majority of ADRs are found to be possible, mild and not preventable. As HIV/AIDS becomes a disease that can be both prevented and treated, attitudes will change, and denial, stigma and discrimination will rapidly be reduced.

World Journal of Pharmaceutical Research published new progress about AIDS (disease). 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, SDS of cas: 112-63-0.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Nachliely, Matan; Trachtenberg, Aviram; Khalfin, Boris; Nalbandyan, Karen; Cohen-Lahav, Merav; Yasuda, Kaori; Sakaki, Toshiyuki; Kutner, Andrzej; Danilenko, Michael published the artcile< Dimethyl fumarate and vitamin D derivatives cooperatively enhance VDR and Nrf2 signaling in differentiating AML cells in vitro and inhibit leukemia progression in a xenograft mouse model>, Recommanded Product: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is acute myeloid leukemia inhibition dimethyl fumarate VDR Nrf2 signaling; 25-dihydroxyvitamin D(2); Acute myeloid leukemia; Analogs of 1; Cell differentiation; Dimethyl fumarate; PRI-5202; Paricalcitol (PRI-5100); Resistance to CYP24A1-mediated metabolism; Vitamin D receptor; Xenograft mouse model of AML.

Here, we demonstrate that in AML cell cultures, moderate pro-differentiation effects of low concentrations of VDDs can be synergistically enhanced by structurally distinct compounds known to activate the transcription factor Nuclear Factor (Erythroid-derived 2)-Like 2 (NFE2L2 or Nrf2). Particularly, di-Me fumarate (DMF), which is clin. approved for the treatment of multiple sclerosis and psoriasis, strongly cooperated with 1,25D3, PRI-5100 (19-nor-1,25D2; paricalcitol) and PRI-5202 (a double-point modified 19-nor analog of 1,25D2). These data support the notion that VDDs and Nrf2 activators synergize in inducing myeloid cell differentiation through the cooperative activation of the VDR and Nrf2/antioxidant response element signaling pathways. We have previously reported that PRI-5202 is more potent by approx. two orders of magnitude than 1,25D3 as a differentiation inducer in AML cell lines. In addition, PRI-5202 was remarkably more resistant against degradation by the human 25-hydroxyvitamin D3-24-hydroxylase than both 1,25D2 and 1,25D3. Importantly, using a xenograft mouse model we demonstrated that co-administration of PRI-5202 and DMF resulted in a marked cooperative inhibition of human AML tumor growth without inducing treatment toxicity. Collectively, our findings provide a rationale for clin. testing of low-toxic VDD/DMF combinations as a novel approach for differentiation therapy of AML.

Journal of Steroid Biochemistry and Molecular Biology published new progress about Acute myeloid leukemia. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Recommanded Product: (9Z,12Z)-Methyl octadeca-9,12-dienoate.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Pichaimuthu, Karthika; Jena, Anirudha; Chang, Ho; Su, Chaochin; Hu, Shu-Fen; Liu, Ru-Shi published the artcile< Molybdenum Disulfide/Tin Disulfide Ultrathin Nanosheets as Cathodes for Sodium-Carbon Dioxide Batteries>, Recommanded Product: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is molybdenum disulfide tin nanosheet cathode sodium carbon dioxide battery; MoS2/SnS2 cathode; Na閳墫O2 batteries; catalytic activity; overpotential; sulfur vacancies.

Metal-CO2 rechargeable batteries are of great importance due to their higher energy d. and carbon capture capability. In particular, Na-CO2 batteries are potential energy-storage devices that can replace Li-based batteries due to their lower cost and abundance. However, because of the slow electrochem. processes owing to the carbonated discharge products, the cell shows a high overpotential. The charge overpotential of the Na-CO2 battery increases because of the cathode catalyst’s inability to break down the insulating discharge product Na2CO3, thereby resulting in poor cycle performance. Herein, we develop an ultrathin nanosheet MoS2/SnS2 cathode composite catalyst for Na-CO2 battery application. Insertion of SnS2 reduces the overpotential and improves the cyclic stability compared to pristine MoS2. As shown by a cycle test with a restricted capacity of 500 mAh/g at 50 mA/g, the battery is stable up to 100 discharge-charge cycles as the prepared catalyst successfully decomposes Na2CO3. Furthermore, the battery with the MoS2/SnS2 cathode catalyst has a discharge capacity of 35 889 mAh/g. The reasons for improvements in the cycle performance and overpotential of the MoS2/SnS2 composite cathode catalyst are examined by a combination of Raman, XPS, and extended X-ray absorption fine structure anal., which reveals an underneath phase transformation and changes in the local at. environment to be responsible. SnS2 incorporation induces S-vacancies in the basal plane and 1T character in 2H MoS2. This combined impact of SnS2 incorporation results in undercoordinated Mo atoms. Such a change in the electronic structure and the phase of the MoS2/SnS2 composite cathode catalyst results in higher catalytic activity and reduces the cell overpotential.

ACS Applied Materials & Interfaces published new progress about Battery anodes. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Recommanded Product: (9Z,12Z)-Methyl octadeca-9,12-dienoate.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Graf, Roderich published the artcile< 4,6-Dichloro- and 4,5,6-trichloropicolinic acid>, Product Details of C19H34O2, the main research area is .

Picolinic acid-HCl (200 g.) and 350 cc. SOCl2, gently boiled 10 days, give 30 g. mono-Cl acid, 100 g. di-Cl acid and 30 g. of a mixture of the di- and tri-Cl acids. That the di-Cl acid is the 4,6-Cl2 derivative is shown by the following reactions: The acid chloride and N2H4.H2O in C6H6 give sec-bis(4,6-dichloropicolinic acid) hydrazide, m. above 300� the Me ester gives 4,6-dichloropicolinic acid hydrazide, m. 154�(benzal derivative, m. 165�; the azide m. 74�and with absolute EtOH yields 4,6-di-chloro-2-carbethoxypyridine, m. 75� dilute AcOH gives the 2-NH2 derivative (I), m. 108� with HI I yields a compound, m. 137� which may be the 6-iodo-4-chloro derivative The Ac derivative of I n. 218-9� The diazo solution from I in H2SO4 gives 4,6-dichloro-2-hydroxy-pyridine, m. 151� and in concentrated HCl gives 2,4,6-trichloropyridine, m. 33� this also results from 2,6-dichloro-4-aminopyridine. Heating the 4,6-Cl2 acid with 80% H2SO4 8 hrs. gives 4-chloro-6-hydroxypicolinic acid (Seyfferth, J. Chem. Soc. 67, 408(1895). 4,5,6-Trichloropicolinic acid (II), crystallizing with 1 mol. H2O, m. 123� is obtained pure by distillation of the chloride and then of the Me ester, m. 125� II and HI with some red P, heated 8 hrs. at 150� give 5-chloropicolinic acid, m. 170� The amide of II m. 169� the Ph ester m. 138� Heating the Me ester with HI and red P 5 hrs. gives 4-iodo-5-chloropicolinic acid, m. 159�(decomposition); refluxed with SOCl2 for 4 hrs., the I is replaced by Cl, giving 4,5-dichloropicolinic acid, crystals with 1 mol. H2O, m. 179-80�(Ost, J. prakt. Chem. 27, 274(1882)). Refluxing the Me ester with 80% H2SO4 4 hrs. gives 4,5-dichloro-6-hydroxypicolinic acid, crystallizing with 1 mol. H2O, m. 284�(decomposition). 3-Chloropicolinic acid, m. 121� amide, m. 140�

Journal fuer Praktische Chemie (Leipzig) published new progress about 112-63-0. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Product Details of C19H34O2.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Lee, Dongwoo; Choi, Juneun; Lee, Youn-Woo; Lee, Jong Min published the artcile< Design and economic analysis of biodiesel production process of simultaneous supercritical transesterification and partial hydrogenation using soybean oil with Pd/Al2O3 catalyst>, SDS of cas: 112-63-0, the main research area is palladium alumina biodiesel supercritical transesterification partial hydrogenation.

A kinetic study of the simultaneous supercritical transesterification and partial hydrogenation (SSTPH) process using soybean oil with Pd/Al2O3 catalyst was conducted. In addition, process design and economic anal. were conducted to investigate the profitability of three different continuous biodiesel production processes, each with a production capacity of 40,000 tonnes/h, including a conventional supercritical process, SSTPH process using Cu catalyst, and SSTPH process using Pd/Al2O3 catalyst. The contents of Me oleate in the biodiesel products from the three processes were 22.9, 56.9, and 77.9 wt%, resp. It was found that the total manufacturing costs for the SSTPH processes were higher than that of the conventional supercritical process due to partial hydrogenation. However, the total capital investment for the SSTPH process with Pd/Al2O3 was the lowest owing to the mild reaction condition. Overall, the SSTPH process using Pd/Al2O3 was the most economically feasible. Sensitivity anal. of the net present values (NPVs) was conducted according to the material prices and the plant capacity. The results of the sensitivity anal. show that the NPVs for the three processes are most sensitive to the biodiesel price. Consequently, the SSTPH process with Pd/Al2O3 had the lowest break-even biodiesel price despite the same price of biodiesel.

Chemical Engineering Research and Design published new progress about Biodiesel fuel. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, SDS of cas: 112-63-0.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Mathur, Dipti; Sharma, Pradeep K.; Banerji, Kalyan K. published the artcile< Kinetics and mechanism of oxidation of primary alcohols by pyridinium hydrobromide perbromide>, Electric Literature of 112-63-0, the main research area is oxidation primary alc pyridinium hydrobromide perbromide; kinetics mechanism oxidation primary alc; LFER Winstein Grunwald Pavelich Taft.

Oxidation of nine primary aliphatic alcs. by pyridinium hydrobromide perbromide (PHPB) in aqueous acetic acid leads to the formation of the corresponding aldehydes. The reaction is first order with respect to PHPB. Michaelis-Menten-type kinetics are observed with respect to the alc. The oxidation of MeCD2OH exhibits a substantial kinetic isotopic effect. The effect of solvent composition indicates that the transition state is more polar than the reactions. The reaction is susceptible to both polar and steric effects of the substituents. A mechanism involving transfer of a hydride ion from the alc. to the oxidant has been proposed.

Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999) published new progress about Alcohols Role: RCT (Reactant), RACT (Reactant or Reagent). 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Electric Literature of 112-63-0.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Zirimwabagabo, Jean-Olivier; Jailani, Ameera B. A.; Avgoustou, Paris; Tozer, Matthew J.; Gibson, Karl R.; Glossop, Paul A.; Mills, James E. J.; Porter, Roderick A.; Blaney, Paul; Wang, Ning; Skerry, Timothy M.; Richards, Gareth O.; Harrity, Joseph P. A. published the artcile< Discovery of a First-In-Class Small Molecule Antagonist against the Adrenomedullin-2 Receptor: Structure-Activity Relationships and Optimization>, Product Details of C19H34O2, the main research area is spiroindenepyrrolopyridinyl acylaminoacetamide preparation selective adrenomedullin receptor antagonist antitumor agent; structure spiroindenepyrrolopyridinyl acylaminoacetamide inhibition adrenomedullin receptor selectivity.

Class B G-protein-coupled receptors (GPCRs) remain an underexploited target for drug development. The calcitonin receptor (CTR) family is particularly challenging, as its receptors are heteromers comprising two distinct components: the calcitonin receptor-like receptor (CLR) or calcitonin receptor (CTR) together with one of three accessory proteins known as receptor activity-modifying proteins (RAMPs). CLR/RAMP1 forms a CGRP receptor, CLR/RAMP2 forms an adrenomedullin-1 (AM1) receptor, and CLR/RAMP3 forms an adrenomedullin-2 (AM2) receptor. The CTR/RAMP complexes form three distinct amylin receptors. While the selective blockade of AM2 receptors would be therapeutically valuable, inhibition of AM1 receptors would cause clin. unacceptable increased blood pressure. We report here a systematic study of structure-activity relationships that has led to the development of first-in-class AM2 receptor antagonists such as I. These compounds exhibit therapeutically valuable properties with 1000-fold selectivity over the AM1 receptor. These results highlight the therapeutic potential of AM2 antagonists.

Journal of Medicinal Chemistry published new progress about Adrenomedullin receptors Role: BSU (Biological Study, Unclassified), BIOL (Biological Study) (AM2 receptors). 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Product Details of C19H34O2.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics