Month: November 2022

Kuang, Silan; Hua, Haiming; Lai, Pengbin; Li, Jialin; Deng, Xiaodie; Yang, Yang; Zhao, Jinbao published the artcile< Anion-containing solvation structure reconfiguration enables wide-temperature electrolyte for high-energy-density lithium-metal batteries>, Application of C19H34O2, the main research area is solvation structure reconfiguration wide temperature electrolyte; lithium ion secondary battery electrolyte; high voltage; liPO2F2; localized high-concentration electrolyte; solvation structure; wide temperature.

The demand for high-energy-d. lithium batteries (LBs) that work under a wide temperature range (-40 to 60°C) has been increasing recently. However, the conventional lithium hexafluorophosphate (LiPF6)-based ester electrolyte with a solvent-based solvation structure has limited the practical application of LBs under extreme temperature conditions. In this work, a novel localized high-concentration electrolyte (LHCE) system is designed to achieve the anion-containing solvation structure with less free solvent mols. using lithium difluorophosphate (LiPO2F2) as a lithium salt, which enables wide-temperature electrolyte for LBs. The optimized solvation structure contributes to the cathode-electrolyte interface (CEI) with abundant LiF and P-O components on the surface of the LiNi0.5Co0.2Mn0.3O2 (NCM523) cathode, effectively inhibiting the decomposition of electrolyte and the dissolution of transition-metal ions (TMIs). Moreover, the weakened Li+-dipole interaction is also beneficial to the desolvation process. Therefore, the 4.3 V Li||NCM523 cell using the modified electrolyte maintains a high capacity retention of 81.0% after 200 cycles under 60°C. Meanwhile, a considerable capacity of 70.9 mAh g-1 (42.0% of that at room temperature) can be released at an extremely low temperature of -60°C. This modified electrolyte dramatically enhances the electrochem. stability of NCM523 cells by regulating the solvation structure, providing guidelines for designing a multifunctional electrolyte that works under a wide temperature range.

ACS Applied Materials & Interfaces published new progress about Battery cathodes. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Application of C19H34O2.

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

Shiau, Stephanie; Yin, Michael T.; Strehlau, Renate; Shen, Jing; Abrams, Elaine J.; Coovadia, Ashraf; Kuhn, Louise; Arpadi, Stephen M. published the artcile< Bone turnover markers in children living with HIV remaining on ritonavir-boosted lopinavir or switching to efavirenz>, Name: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is lopinavir efavirenz ritonavir children living human immuno virus; Bone; Bone turnover markers; Osteocalcin; Protease inhibitors.

We previously found lower bone mass but similar bone turnover in pre-pubertal children living with HIV (CLWH) on a ritonavir-boosted lopinavir (LPV/r)-based vs. efavirenz-based antiretroviral therapy regimen 2 years after switch. Here, we evaluate if bone turnover differed between the groups close to the time of switch. Samples from 108 children remaining on LPV/r and 104 children switched to efavirenz were available for anal. 8 wk post-randomization. Bone turnover markers, including C-telopeptide of type 1 collagen (CTx), procollagen type-I N-terminal propeptide (P1NP), and osteocalcin were measured. Markers of immune activation were also measured, including IL-6, TNF-alpha, soluble CD14 and high-sensitivity C-reactive protein (CRP). Eight weeks post-randomization, we did not detect differences in CTx (1.42 vs. 1.44 ng/mL, p = 0.85) or P1NP concentrations (622 vs. 513 ng/mL, p = 0.68) between treatment groups. At 8 wk, the treatment groups also had similar levels of IL-6, TNF-alpha, soluble CD14 and high-sensitivity CRP. Osteocalcin (ng/mL) was higher in the LPV/r than efavirenz group both at 8 wk (88.6 vs. 67.3, p = 0.001) and 2 years (67.6 vs. 49.8, p = 0.001). Overall, we failed to detect difference in bone turnover by P1NP and CTx in virol.-suppressed CLWH on different regimens at a time point close to the switch. We did observe higher levels of total osteocalcin in children remaining on LPV/r compared to children switched to efavirenz. Future studies should focus on uncovering the mechanism and determining whether perturbation in undercarboxylated osteocalcin could explain some of the bone side effects noted with protease inhibitors.

Bone (New York, NY, United States) published new progress about Animal gene, IL-6 Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Name: (9Z,12Z)-Methyl octadeca-9,12-dienoate.

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

Hammer, Theodore J.; Pugh, Coleen; Soucek, Mark D. published the artcile< Ultraviolet-Curable Cycloaliphatic Polyesters Containing Spiroacetal Moieties for Application as Powder Coatings>, Category: esters-buliding-blocks, the main research area is UV curable cycloaliphatic polyester spiroacetal powder coating.

Thermosetting cycloaliphatic powder coatings that exhibit good weatherability, corrosion resistance, and mech. properties have been desired for some time. Unfortunately, most cycloaliphatic resins have glass transition temperatures (Tgs) that are too low for powder coating applications. In this study, a series of UV-curable, cycloaliphatic polyesters was synthesized from 3,9-bis(1,1-dimethyl-2-hydroxyethyl)-2,4,8,10-tetraoxaspiro[5.5]undecane (spiroglycol), 1,4-cyclohexanedimethanol, and 1,4-cyclohexanedicarboxylic acid. The oligomers were characterized by 1H NMR spectroscopy, Fourier-transform IR spectroscopy, gel-permeation chromatog., and differential scanning calorimetry. The Tg value, the tensile strength, and the modulus of the crosslinked polyesters systematically increased with the spiroglycol (SPG) loading level. Dynamic mech. anal. experiments highlighted structure-property relationships and showed evidence of secondary relaxations at around -44°C. These β-relaxations were attributed to conformational transitions of the cycloaliphatic rings. The oligomers that contained 30 and 45 mol % SPG had Tgs that were suitable for powder coating applications. As such, they were formulated into UV-curable powder coatings. Coated test panels were evaluated in a salt spray chamber (ASTM B117) and a QUV weatherometer. The impact resistance, adhesion, and pencil hardness properties of the coatings were also evaluated. When compared to conventional (aromatic-based) controls, the cycloaliphatic powder coatings exhibited comparable weatherability, corrosion resistance, and Tgs along with superior impact resistance, substrate adhesion, and resistance to yellowing. These findings suggest that the cycloaliphatic powder coatings would be good alternatives to aromatic-based systems that are used in exterior durable clear coat applications.

ACS Applied Polymer Materials published new progress about Adhesion, physical. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Category: esters-buliding-blocks.

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

Hu, Longqin; Liu, Bin; Hacking, Douglas R. published the artcile< 5'-[2-(2-Nitrophenyl)-2-methylpropionyl]-2'-deoxy-5-fluorouridine as a potential bioreductively activated prodrug of FUDR: synthesis, stability and reductive activation>, COA of Formula: C9H9NO4, the main research area is nitrophenylmethylpropionyl deoxyfluorouridine preparation FUDR prodrug; anticancer FUDR reductive activation nitrophenylmethylpropionyl deoxyfluorouridine.

5′-[2-(2-Nitrophenyl)-2-methylpropionyl]-2′-deoxy-5-fluorouridine was synthesized as a potential bioreductively activated prodrug of 5-fluoro-2′-deoxyuridine (FUDR). The target compound was stable in both phosphate buffer and human serum and was found to release quickly the parent drug FUDR in quant. yield upon mild chem. reduction

Bioorganic & Medicinal Chemistry Letters published new progress about Prodrugs. 30095-98-8 belongs to class esters-buliding-blocks, and the molecular formula is C9H9NO4, COA of Formula: C9H9NO4.

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

Krchnak, V.; Arnold, Z. published the artcile< Novel pyrimidine derivatives, reactions, and ultraviolet spectra>, Product Details of C19H34O2, the main research area is pyrimidine methyleneamino hydrolysis; hydrolysis methyleneaminopyrimidine; UV pyrimidine.

The conditions were studied for selective hydrolysis of I (R1 = NH2, NMe2, OH, OAc, OMe, SH, SMe, H, F, Cl, Br, SOME2, SO2Me, CN) and the products characterized by uv spectra. Hydrolysis of I in boiling 0.02M H2SO4 or 0.2M AcOH gave the corresponding II, while treating I with 0.2M H2SO4 at 110° or with boiling 5% K2CO3 solution yielded the appropriate III. In strongly alk. media I (R1 = CN) gave III (R1 = CONH2) and III (R1 = CO2H). Special conditions were required for the hydrolysis of I (R1 = F) (IV) which gave in 3M KHF2 at 75° II (R1 = F) and at 120° afforded III (R1 = F), while heating IV in 5% K2CO3 solution yielded III (R1 = NMe2).

Collection of Czechoslovak Chemical Communications published new progress about Hydrolysis. 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

Fan, Yan-Hua; Ding, Huai-Wei; Liu, Dan-Dan; Song, Hong-Rui; Xu, Yong-Nan; Wang, Jian published the artcile< Novel 4-aminoquinazoline derivatives induce growth inhibition, cell cycle arrest and apoptosis via PI3Kα inhibition>, Synthetic Route of 112-63-0, the main research area is aminoquinazoline derivative preparation cancer; 4-Aminoquinazoline; Antiproliferative effects; Apoptosis; Cell cycle arrest; PI3K inhibitor.

Phosphatidylinositol 3-kinase (PI3K) signaling pathway has diverse functions, including the regulation of cellular survival, proliferation, cell cycle, migration, angiogenesis and apoptosis. Among class I PI3Ks (PI3Kα, β, γ, δ), the PIK3CA gene encoding PI3K p110α is frequently mutated and overexpressed in a large portion of human cancers. Therefore, the inhibition of PI3Kα has been considered as a promising target for the development of a therapeutic treatment of cancer. In this study, we designed and synthesized a series of 4-aminoquinazoline derivatives and evaluated their antiproliferative activities against six cancer cell lines, including HCT-116, SK-HEP-1, MDA-MB-231, SNU638, A549 and MCF-7. Compound 6b with the most potent antiproliferative activity and without obvious cytotoxicity to human normal cells was selected for further biol. evaluation. PI3K kinase assay showed that 6b has selectivity for PI3Kα distinguished from other isoforms. The western blot assay and PI3K kinase assay indicated that 6b effectively inhibited cell proliferation via suppression of PI3Kα kinase activity with an IC50 of 13.6 nM and subsequently blocked PI3K/Akt pathway activation in HCT116 cells. In addition, 6b caused G1 cell cycle arrest owing to the inhibition of PI3K signaling and induced apoptosis via mitochondrial dependent apoptotic pathway. Our findings suggested that 6b has a therapeutic value as an anticancer agent via PI3Kα inhibition.

Bioorganic & Medicinal Chemistry published new progress about Antiangiogenic agents. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Synthetic Route of 112-63-0.

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

Vodicka, Petr; Streinz, Ludvik; Koutek, Bohumir; Budesinsky, Milos; Ondracek, Jan; Cisarova, Ivana published the artcile< (S)-2-chloro-2-fluoroethanoyl isocyanate, a chiral derivative of trichloroacetyl isocyanate>, Reference of 617-55-0, the main research area is carbamoylation chloro fluoroacetyl isocyanate preparation chiral alc; chiral secondary alc carbamoylation chloro fluoroacetyl isocyanate preparation; NMR conformation chiral secondary alc carbamoylation chlorofluoroacetyl carbamate; configuration NMR chiral secondary alc carbamoylation chloro fluoroacetyl carbamate; shift reagent chiral secondary alc carbamoylation chlorofluoroacetyl carbamate preparation.

Carbamate diastereomers were prepared from easily accessible (-)-(2S)-2-chloro-2-fluoroacetyl isocyanate (I) and various secondary chiral alcs. I, a chiral analog of trichloroacetyl isocyanate, undergoes the reaction with alcs. very fast, thus blocking the hydroxyl group for the purposes of NMR investigation. Moreover, the correlation of stereochem. of products with their 1H NMR spectra revealed that the constitution as well as configuration influences regularly the values of chem. shift difference (Δδ = δ(R) – δ(S)) except for those diastereomers bearing simple alkyl groups in the mol. Spectral as well as crystallog. data manifest the predominant planar conformation of the central part of the mol. Due to the good accessibility and high reactivity in particular, I, might be considered, to some extent, an alternative for TAI giving addnl. information on a compound’s spatial structure. For example, diagnostic NMR peaks were compared for [(1S)-chlorofluoroacetyl]carbamic acid (1R)-3-chloro-1-phenylpropyl ester and [(1R)-Chlorofluoroacetyl]carbamic acid (1R)-3-chloro-1-phenylpropyl ester.

Chirality published new progress about Alcohols, chiral Role: RCT (Reactant), RACT (Reactant or Reagent). 617-55-0 belongs to class esters-buliding-blocks, and the molecular formula is C6H10O5, Reference of 617-55-0.

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

Mayer, Fritz; English, Frank Albert published the artcile< Pschorr's phenanthrene synthesis. II>, Name: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is .

The preparation of ethylphenanthrenes is desirable in order to clear the constitution of the α- and β-ethylphenanthrenes of Pschorr (Ber. 39, 3124(1918). This would perhaps enable one to decide between the two morphine formulas of Knorr and Freund. I. Condensation experiments with o-ethylphenylacetic acid and o-ethvibenzaldehyde. I-Ethyl-z-hydroxymethylbenzene (ethylbenzyl alcohol), EtC6H4CH2OH, is obtained by the electrolytic reduction of a dilute H2SO4 solution of EtC6H4CO2H, using a Pb electrode, 28 amp. and a temperature of 50-60°. After 6 hrs. the operation is interrupted, the product diluted with H2O, shaken with Et2O, the acid removed by NH4OH and the alc. distilled It is a colorless liquid with a slight aromatic odor, b. 229°. 68.5 g. alc. and 120 cc. cold saturated HBr, shaken 1.5 hrs., gave the bromide EtC6H4CH2Br, slightly bluish green liquid, b. 225°, m. 34°. It attacks the mucous membranes. The nitrile EtC6H4CH2CN is obtained in 86% yield by heating 18.8 g. NaCN in 280 cc. 80% alc. with 50 g. of bromide in 50 g. 96% alc. for 1 hr., oil with the odor of HCN, b. 257-8°. Upon saponification this yields the acid EtC6H4CH2CO2H, m. 83.5°. Ethyl ester, colorless, odorless oil. The aldehyde cannot be prepared from the acid by Mettler’s method (C. A. 3,540). Piria’s method (Ber. 13, 1413(1880) gave a 25% yield (distillation of the Ca salts of the acids). Oxidation with K2Cr2O7 gave a 67% yield, while Sommelet’s method (D. R. P. 268,786, heating the urotropine addition product of the bromide in absolute alc. for 2 hrs.) gave 33.6%. o-Ethylbenzaldehyde is an odorless oil, b753 210°. Further experiments were also made with Sommelet’s reaction. o-O2NC6H4CH2Cl and urotropine form an addition product by boiling with CHCl3 for 45 min., turns brown at 180°, m. 184° (decomposition). Heated 1 hr. with 60% alc., it forms tri-[o-nitrobenzyl]trimethylenetriamine, yellowish white crystals, m. 112°. When heated 9 hrs. with concentrated HCl, HCHO is given off and o-nitrobenzylamine is formed, of which the hydrochloride and the picrate were analyzed. In the same way, p-O2NC6H4CH2Cl and urotropine form an addition product, decompose 186°, which yields tri-[p-nitrobenzyl]trimethylenetriamine, m. 161°. 2-ClC6H4CH2Cl and urotropine form an addition product which decomposes 203°, and which yields o-ClC6H4CHO, b. 213-4°. o-EtC6H4CHO (4.5 g.), o-O2NC6H4CH2CO2Na (6.5 g.), Ac2O and ZnCl2 were heated for 10 hrs. at 120°. Only about 1/3 g. of material was obtained, which, crystallized from H2O, forms light yellow crystals, m. 183.5°. The product C9H9O3N is soluble in alkali, does not react with NH4OH and FeSO4 or with H2SO4. α-o-Ethylphenyl-β-o-nitrophenylacrylic acid, C17H15O4N, is formed from 5.1 g. of EtC6H4CH2CO2K and 3.8 g. of o-O2NC6H4CHO by heating at 100° with 0.5 g. ZnCl2 and 20 cc. Ac2O for 48 hrs. Crystallized from C6H6 it m. 194°. Reduced with FeSO4 and NH4OH, it forms α-o-ethylphenyl-β- o-aminophenylacrylic acid, crystals, m. 178-9°. Upon diazotizing and pouring into H2O, the HO acid results, instead of 8-ethylphenanthrenecarboxylic acid. II. Condensation experiments with m-ethylphenylacetic acid. 3-EtC6H4NH2 was prepared by heating 1.35 g. m-H2NC6H4COMe with 60 g. N2H44.H2O for 8 hrs. at 160° and then heating 100 g. of the resulting mixture with 120 g. N2H4-H2O 15 hrs. at 210°. The yield is about 50%. When diazotized, treated with CuCN and the nitrile saponified, I-ethylbenzene-3-carboxylic acid results, m. 40-44°. I-Hydroxymethyl-3-ethylbenzene (ethylbenzyl alcohol), EtC6H4CH2OH, is obtained by reducing the acid in alc. H2SO4 with 35 amp. at 55° for 6 hrs.; it is a slightly aromatic oil, b758 at 227°. The bromide is formed by the action of cold saturated HBr and is changed into the cyanide by the action of KCN, b761 250-4°. Saponified with 80% KOH in the presence of 30% H2O2, 3-ethylphenylacetic acid results in 97% yield, white scales, m. 62-4°. When 5.4 g. of the alc. are oxidized with 4 g. K2Cr2O7 in 6o cc. 10% H2SO4, and the reaction product is shaken with Et2O, 67% of the aldehyde results, b762 200-14°. α-m-Ethylphenyl-β-o-nitrophenylacrylic acid, EtC6H4C(CO2H): CHC6H4NO2, from the aldehyde and the K salt, m. 138°, crystallized from C6H6-ligroin. Reduced with FeSO4 and NH4OH, the amino acid results, m. 150-50.5°. When diazotized and poured into H2SO4, or when the diazo solution is shaken with mol. Cu, a mixture of acids is obtained which is separated by crystallization from AcOH and then from C6H6-ligroin; 5-ethylphenanthrene-9-carboxylic acid is obtained as the insoluble fraction, m. 147-9°. From the mother liquor α-m-ethylphenyl-β-o-hydroxyphenylacrytic acid seps., m. 203° (decomposition).

Annalen der Chemie, Justus Liebigs published new progress about 112-63-0. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Name: (9Z,12Z)-Methyl octadeca-9,12-dienoate.

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

Onodera, Kou; Takashima, Ryo; Suzuki, Yumiko published the artcile< Selective Synthesis of Acylated Cross-Benzoins from Acylals and Aldehydes via N-Heterocyclic Carbene Catalysis>, Application of C19H34O2, the main research area is acetoxyketone preparation chemoselective; acylal aldehyde cross benzoin reaction nitrogen heterocyclic carbene catalyst.

The utility of acylals as building blocks for selective cross-benzoin synthesis was explored in this study. The synthesis of α-acetoxyketones (O-acyl cross-benzoins) I (R1 = Ph, 2-FC6H4, 2-ClC6H4, etc.; R2 = Me; R3 = Ph, 2-furyl, CH2CH2Ph, etc.) was achieved via selective N-heterocyclic carbene-catalyzed cross-benzoin reactions using acylals as aldehyde equivalent Thus, the combination of ortho-substituted Ph acylals and aromatic/aliphatic aldehydes as coupling substrates using bicyclic triazolium salts as precatalysts and potassium carbonate as a base in THF at reflux temperature selectively yielded O-acyl cross-benzoins.

Organic Letters published new progress about Acetals Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Application of C19H34O2.

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

Kim, Min Jeong; Kang, Hyun-Hee; Seo, Yeung Jin; Kim, Kyung-Min; Kim, Young-Jun; Jung, Sung Keun published the artcile< Paeonia lactiflora Root Extract and Its Components Reduce Biomarkers of Early Atherosclerosis via Anti-Inflammatory and Antioxidant Effects In Vitro and In Vivo>, SDS of cas: 112-63-0, the main research area is Paeonia atherosclerosis methyl gallate root biomarkers anti inflammatory antioxidant; NF-κB; Paeonia lactiflora; VCAM-1; atherosclerosis; monocyte adhesion; vascular inflammation.

Although various physiol. activities of compounds obtained from Paeonia lactiflora have been reported, the effects of P. lactiflora extract (PLE) on early atherosclerosis remain unclear. Therefore, in this study, we investigated the in vitro and in vivo antiatherosclerosis and in vitro antioxidant effects of PLE and its compounds PLE suppresses the tumor necrosis factor (TNF)-α-induced capacity of THP-1 cells to adhere to human umbilical vein endothelial cells (HUVECs), vascular cell adhesion mol. (VCAM)-1 expression, and nuclear factor kappa-light-chain-enhancer of activated B cells (NF-κB) signaling in HUVECs. PLE also suppresses TNF-α-induced nuclear translocation of NF-κB p65 from cytosol as well as the enhanced TNFA and C-C motif chemokine ligand 2 (CCL2) mRNA expression in HUVECs. We identified and quantified the following PLE compounds using high-performance liquid chromatog. with diode array detection: Me gallate, oxypaeoniflorin, catechin, albiflorin, paeoniflorin, benzoic acid, benzoylpaeoniflorin, and paeonol. Among these, Me gallate had the strongest inhibitory effect on monocyte adherence to TNF-α-induced HUVECs and the VCAM-1 expression. Reverse transcriptase real-time quant. polymerase chain reaction showed that PLE compounds had a dissimilar inhibition effect on TNF-α-induced mRNA expression levels of CCL2, TNFA, and IL6 in HUVECs. Except for paeonol, the compounds inhibited lipopolysaccharide (LPS)-induced reactive oxygen species production in RAW264.7 cells. In vivo, oral administration of PLE improved TNF-α-induced macrophage infiltration to the vascular endothelium and expression of VCAM-1, as well as IL6 and TNFA gene expression in the main artery of mice. PLE could be useful as a nutraceutical material against early atherosclerosis via the combined effects of its components.

Antioxidants published new progress about Animal gene Role: BSU (Biological Study, Unclassified), BIOL (Biological Study) (TNFA). 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