Tag: M.W=250-300

Ayadi, Awatef; Benmensour, Mohamed-Ali; Cheret, Yohan; Boucekkine, Abdou; El-Ghayoury, Abdelkrim published the artcile< Zinc and copper complexes of stilbene iminopyridine ligands with �-Olefin binding mode>, Recommanded Product: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is zinc copper complex stilbene iminopyridine preparation uv vis DFT; crystal structure mol zinc copper complex stilbene iminopyridine optimized.

Two stilbene based iminopyridine ligands (L1-L2) synthesized by a condensation reaction between N,N-Dimethyl-4,4′-azodianiline and 2-pyridinecarboxaldehyde or 2,6-pyridinedicarboxaldehyde, with 73% and 65% yield, are described. The two ligands have been characterized by elemental anal. and spectroscopic techniques. The complexation of ligand L1 with ZnCl2 afforded neutral tetrahedral zinc(II) metal complex C1 formulated as [ZnL1Cl2] with a 2D supramol. architecture reinforced by 锜鸿矾璺矾é”?stacking and hydrogen bonding in the solid state. Interestingly in the case of copper(I) complex C2, ligand L1 acts as a ditopic ligand since it coordinates one Cu(I) with an iminopyridyl fragment and a second metal center with an é?-olefin binding mode giving rise to a 1D-polymeric structure. The coordination sphere is completed with an acetonitrile solvent mol. leading to a distorted tetrahedral geometry around copper cation and the resulting coordination polymer can be formulated as {[Cu(L1)2CH3CN]BF4}. In addition complexation of L2 with zinc chloride afforded complex C3 formulated as [ZnL2Cl2]. DFT and TDDFT computations permitted to investigate the frontier MOs of all species and to assign their UV-visible absorption bands.

Journal of Organometallic Chemistry published new progress about Crystal structure. 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

Kurniawan, Yehezkiel Steven; Thomas, Kevin; Hendra; Jumina; Wahyuningsih, Tutik Dwi published the artcile< Green synthesis of alkyl 8-(2-butyl-5-octyl-1, 3-dioxolan-4-yl)octanoate derivatives as potential biolubricants from used frying oil>, Synthetic Route of 112-63-0, the main research area is alkylbutyl octyl dioxolanyl octanoate biolubricant frying oil green synthesis.

Three pentanal-derived acetal esters have been prepared using a sonochem. method employing the principles of green chem. As many as two steps were required to produce these esters of alkyl 9,10- dihydroxystearate in 67-85% yield. The green synthesis evaluation was carried out through a comparison between reflux and sonochem. methods, as well as homogeneous and solid acid catalysts. Activation of Indonesian natural bentonite was conducted by Bronsted acid-enabled dealumination to obtain a low-cost solid acid catalyst. It was found that sonochem. esterification of the acid-catalyzed by H-bentonite gave products in up to 70% yield in 3 times shorter reaction time than the reflux method, which is remarkable. The final acetalization step with n-pentanal in the presence of H-bentonite with sonochem. method afforded three pentanal-derived dioxolane derivatives in 69-85% yields, which are higher than the conventional method. Examination of the physicochem. properties of each product revealed that Me 8-(2-butyl-5-octyl-1,3-dioxolan-4-yl)octanoate is the most suitable novel biolubricant to substitute currently com. lubricant.

ScienceAsia published new progress about Acetalization. 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

Gao, Zijie; Xu, Jianye; Fan, Yang; Qi, Yanhua; Wang, Shaobo; Zhao, Shulin; Guo, Xing; Xue, Hao; Deng, Lin; Zhao, Rongrong; Sun, Chong; Zhang, Ping; Li, Gang published the artcile< PDIA3P1 promotes Temozolomide resistance in glioblastoma by inhibiting C/EBP�degradation to facilitate proneural-to-mesenchymal transition>, Product Details of C19H34O2, the main research area is C/EBP� Glioma stem cells; MDM2; Neflamapimod; PDIA3P1; Proneural-to-mesenchymal transition; Temozolomide.

Abstract: Background: Resistance to temozolomide (TMZ) is a major obstacle to preventing glioblastoma (GBM) recurrence after surgery. Although long noncoding RNAs (lncRNAs) play a variety of roles in GBM, the lncRNAs that regulate TMZ resistance have not yet been clearly elucidated. This study aims to identify lncRNAs that may affect TMZ treatment sensitivity and to explore novel therapeutic strategies to overcome TMZ resistance in GBM. Methods: LncRNAs associated with TMZ resistance were identified using the Cancer Cell Line Encyclopedia (CCLE) and Genomics of Drug Sensitivity in Cancer (GDSC) datasets. Quant. real-time PCR (qRT-PCR) was used to determine the expression of PDIA3P1 in TMZ-resistant and TMZ-sensitive GBM cell lines. Both gain-of-function and loss-of-function studies were used to assess the effects of PDIA3P1 on TMZ resistance using in vitro and in vivo assays. Glioma stem cells (GSCs) were used to determine the effect of PDIA3P1 on the GBM subtype. The hypothesis that PDIA3P1 promotes proneural-to-mesenchymal transition (PMT) was established using bioinformatics anal. and functional experiments RNA pull-down and RNA immunoprecipitation (RIP) assays were performed to examine the interaction between PDIA3P1 and C/EBP� The posttranslational modification mechanism of C/EBP�was verified using ubiquitination and coimmunoprecipitation (co-IP) experiments CompuSyn was leveraged to calculate the combination index (CI), and the antitumor effect of TMZ combined with nefllamapimod (NEF) was validated both in vitro and in vivo. Results: We identified a lncRNA, PDIA3P1, which was upregulated in TMZ-resistant GBM cell lines. Overexpression of PDIA3P1 promoted the acquisition of TMZ resistance, whereas knockdown of PDIA3P1 restored TMZ sensitivity. PDIA3P1 was upregulated in MES-GBM, promoted PMT progression in GSCs, and caused GBMs to be more resistant to TMZ treatment. Mechanistically, PDIA3P1 disrupted the C/EBP�MDM2 complex and stabilized the C/EBP�protein by preventing MDM2-mediated ubiquitination. Expression of PDIA3P1 was upregulated in a time- and concentration-dependent manner in response to TMZ treatment, and TMZ-induced upregulation of PDIA3P1 was mediated by the p38�MAPK signaling pathway. NEF is a small mol. drug that specifically targets p38�with excellent blood-brain barrier (BBB) permeability. NEF blocked TMZ-responsive PDIA3P1 upregulation and produced synergistic effects when combined with TMZ at specific concentrations The combination of TMZ and NEF exhibited excellent synergistic antitumor effects both in vitro and in vivo. Conclusion: PDIA3P1 promotes PMT by stabilizing C/EBP� reducing the sensitivity of GBM cells to TMZ treatment. NEF inhibits TMZ-responsive PDIA3P1 upregulation, and NEF combined with TMZ provides better antitumor effects.

Journal of Experimental & Clinical Cancer Research 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

Hei, Yuan-Yuan; Zhang, San-Qi; Feng, Yifan; Wang, Jin; Duan, Weiming; Zhang, Hao; Mao, Shuai; Sun, Haopeng; Xin, Minhang published the artcile< Alkylsulfonamide-containing quinazoline derivatives as potent and orally bioavailable PI3Ks inhibitors>, Reference of 112-63-0, the main research area is alkyl sulfonamide quinazoline derivative preparation oral PI3Ks inhibitor cancer; Anticancer agent; Antiproliferative effects; Drug design; PI3K inhibitor; Quinazoline.

Phosphoinositide 3-kinases (PI3Ks) are regarded as promising targets for treatment of various cancers due to their roles in regulating cell proliferation, differentiation, migration, and survival. Here we report our efforts to develop potent and orally bioavailable PI3K inhibitors for the treatment of cancers. The alkylsulfonamide-containing quinazoline derivatives A1-A18 significantly inhibited PI3Kæµ? and cell proliferation among HCT-116, MCF-7 and SU-DHL-6 cell lines. The optimal compound A1 displayed potent inhibitory activity against PI3Kæµ?(IC50 = 4.5 nM), PI3Kç?(IC50 = 4.5 nM), PI3Kç»?(IC50 = 4.5 nM), PI3Ké?(IC50 = 4.5 nM) and significantly inhibited the growth of HCT-116, MCF-7 and SU-DHL-6 cell lines with IC50 values of 0.82娓璏, 0.99娓璏 and 0.19娓璏, resp. Western blot anal. demonstrated A1 significantly suppressed the phosphorylation of AKTS473 in a dose-dependent manner. Furthermore, A1 could markedly inhibit cancer growth at the dose of 25 mg/kg in nude mouse HCT-116 xenograft model in vivo without causing significant weight loss or toxicity.

Bioorganic & Medicinal Chemistry published new progress about Antitumor agents. 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

Yeong, Siew Ping; Chan, Yen San; Law, Ming Chiat; Ling, Jordy Kim Ung published the artcile< Improving cold flow properties of palm fatty acid distillate biodiesel through vacuum distillation>, Category: esters-buliding-blocks, the main research area is palm fatty acid distillate biodiesel vacuum distillation flow property.

Palm fatty acid distillate (PFAD), a byproduct of refining process of crude palm oil can be used as a potential feedstock for biodiesel production However, the application of palm oil-based biodiesel is often hinder by its poor cold flow properties (CFP). Biodiesel fuel with poor CFP may crystallize and result in clogging of fuel lines, filters and injectors that cause engine operability problems. For that, a vacuum distillation method was designed and its feasibility and efficiency in improving the CFP was examined A total of 13.60wt% of total saturated fatty acid Me esters were successfully removed from the PFAD biodiesel, resulting in the improvement of the cloud point (CP), cold filter plugging point (CFPP) and pour point (PP) of PFAD biodiesel from 20鎺矯, 19鎺矯, and 15鎺矯 to 13鎺矯, 11鎺矯, and 9鎺矯, resp. It is remarkable that the improved CFPP satisfied the requirements for grade C summer biodiesel for temperate climates in EN 14212 standard Addnl., Sarin (UFAME) empirical correlation was evaluated and it was found to have a good prediction of CFP for PFAD biodiesel, with lower than 2鎺矯 deviation.

Journal of Bioresources and Bioproducts published new progress about Biodiesel fuel. 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

Pankova, Alena S.; Sorokina, Mariia V.; Kuznetsov, Mikhail A. published the artcile< Thermal rearrangement of 2,3-diaryl-1-phthalimidoaziridines>, HPLC of Formula: 112-63-0, the main research area is imine preparation; phthalimidoaziridine preparation thermal rearrangement regioselective.

2,3-Diaryl-1-phthalimidoaziridines I (Ar1 = Ph, 4-O2NC6H4; Ar2 = Ph, 4-CH3OC6H4, 4-ClC6H4, 2-thienyl, etc.) and 2,3-diaryl-1-phthalimidoaziridine-2-carbonitriles were found to readily undergo thermal rearrangement into imines e.g. II via 1,2-migration of the phthalimido group and accompanying C-C bond cleavage. Isomerization proceeds regioselectively with preferable migration to the electron-deficient carbon atom. Interestingly, this reaction was found to predominate even in the presence of dipolarophiles.

Tetrahedron Letters published new progress about Aryl aldehydes Role: RCT (Reactant), RACT (Reactant or Reagent). 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, HPLC of Formula: 112-63-0.

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

Watanabe, Toshio; Wang, Zun-Yao; Takahashi, Ohgi; Morihashi, Kenji; Kikuchi, Osamu published the artcile< Calculation of systematic set of bond dissociation enthalpies of polyhalogenated benzenes>, Application of C19H34O2, the main research area is systematic bond dissociation enthalpy polyhalogenated benzene.

The bond dissociation enthalpies (BDEs) of polyhalogenated benzenes were calculated by using the G2M(CC), B3LYP/6-311G(2df,p), and B3LYP/6-311G(d,p) methods. The BDEs of C-H and C-X (X = F, Cl, and Br) calculated by these three methods well reproduced the exptl. BDEs, within 1.2, 2.3, and 4.5 kcal/mol, resp. The anal. of the basis set dependence of the BDEs showed that the BDEs calculated by the B3LYP/6-311G(d,p) method are sufficient for the quant. discussion. An accurate and systematic set of the BDEs of polyhalogenated benzenes was thus obtained by B3LYP/6-311G(d,p) calculations The substitution effects on the BDEs of polyhalogenated benzenes were analyzed by using a linear scheme with and without the correction terms for steric effect. The resulting regression equation for the C-F BDEs well reproduced the calculated C-F BDEs even without the correction term for steric effect, but the regression equations for the C-Cl and C-Br BDEs needs the correction term for steric effect.

Journal of Molecular Structure: THEOCHEM published new progress about Ab initio methods (G2M(RCC)). 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

Ghosh, Subrata K.; Hu, Mengnan; Comito, Robert J. published the artcile< One-Pot Synthesis of Primary and Secondary Aliphatic Amines via Mild and Selective sp3 C-H Imination>, Related Products of 112-63-0, the main research area is primary secondary aliphatic amine preparation selective imination; C閳å¢?functionalization; amination; hydrogen-atom transfer; hypervalent iodine; radical reactions.

The direct replacement of sp3 C-H bonds with simple amine units (-NH2) remains synthetically challenging, although primary aliphatic amines are ubiquitous in medicinal chem. and natural product synthesis. Authors report a mild and selective protocol for preparing primary and secondary aliphatic amines in a single pot, based on intermol. sp3 C-H imination. The first C-H imination of diverse alkanes, this method shows useful site-selectivity within substrates bearing multiple sp3 C-H bonds. Furthermore, this reaction tolerates polar functional groups relevant for complex mol. synthesis, highlighted in the synthesis of amine pharmaceuticals and amination of natural products. Authors characterize a unique C-H imination mechanism based on radical rebound to an iminyl radical, supported by kinetic isotope effects, stereoablation, resubmission, and computational modeling. This work constitutes a selective method for complex amine synthesis and a new mechanistic platform for C-H amination.

Chemistry – A European Journal published new progress about Aliphatic amines Role: SPN (Synthetic Preparation), PREP (Preparation) (primary and secondary). 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Related Products of 112-63-0.

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

Nazarov, I. N.; Semenovskii, A. V. published the artcile< Orientation of chloromethylation reaction>, Reference of 112-63-0, the main research area is .

The isomers formed in chloromethylation of aromatic compounds show o-p-isomer formation which parallels the data on nitration of halobenzenes and chlorination of halobenzenes with FeCl3 (cf. Kovacic and Brace, C.A. 49, 13133g). Passage of HCl 0.5 hr. into 100 ml. CCl4, 6 g. paraformaldehyde, and 6 g. ZnCl2, followed by 32.8 g. PhCH2CO2Et, 2 g. ZnCl2, and stirring 7 hrs. at 50�gave, after washing with H2O, 31% mixed ClCH2C6H4CH2CO2Et, b8 148-51� [n]D20 1.5240, d20 1.1623; this (3.81 g.) oxidized with 60 ml. 20% HNO3 under 30 atm. N 1.5 hrs. in an autoclave at 200�gave benzenedicarboxylic acids, 60.4% p-, 27% o- and 12.6% m-isomer, separated through the Ba salts. Similar reaction with C6H6 gave a mixture of xylylene dichlorides, b9 118.5-20� which on oxidation was shown to contain 69% p-, 16% o- and 15% m-isomers. A considerable part of the p-xylylene chloride may be frozen out and this product, m. 99-100.5� on oxidation with CrO3 in AcOH gave 98.3% terephthalic acid, while hydrolysis of the dichloride with chalk-H2O gave 78.3% p-C6H4 (CH2OH)2, m. 111-12� PhCH2Cl (63.3 g.), 15 g. paraformaldehyde, and 20 g. ZnCl2 in a stream of HCl gave 20 g. p-xylylene dichloride, m. 99-100� along with 9.7 g. liquid mixture of the o-, m-, and p-xylylene dichlorides. Passage of HCl 45 min. into 150 ml. CCl4, 17 g. paraformaldehyde, and 10 g. ZnCl2 followed by dropwise addition of 53 g. EtPh at 50�and stirring 20 min. longer gave 44.5% mixed EtC6H4CH2Cl, b12 95-101� and 12 g. (EtC6H4)2CH2, b12 150� Oxidation of the chloromethyl derivatives with CrO3-AcOH gave 70% p- and 30% o-isomers. Similar chloromethylation of cumene gave 45% mixed isomers of iso-PrC6H4CH2Cl, b15 100-10� which oxidized to 85% p- and 15% o-acids. Similarly, chloromethylation of Me3CPh gave 58% p-Me3CC6H4CH2Cl, b7 101-5� with much unreacted hydrocarbon, which oxidized with HNO3 as above gave only terephthatic acid. Passage of HCl 5 hrs. into 90 ml. concentrated HCl, 30 g. paraformaldehyde, and 80 g. EtPh, followed by stirring 20 hrs. at 50-5�gave 60% isomeric EtC6H4CH2Cl, 77% p- and 23% o-isomers as shown by oxidation with 20% HNO3, as above; similarly iso-PrPh gave 50% mixed iso-PrC6H4CH2Cl isomers, b11 98-102� which on oxidation contained 85% p- and 15% o-isomer. Passage of HCl 1.5 hrs. into 100 ml. CCl4, 30 g. paraformaldehyde, and 20 g. ZnCl2 followed by addition of 48 g. PhF and stirring 5.5 hrs. at 50�with addition of 1.5 g. ZnCl2 gave 78% mixed FC6H4CH2Cl, b17 69-74� which on freezing gave 20% p-isomer; the residue gave 3.35 g. diarylated product, b14 125-35� oxidation with CrO3-AcOH gave 80-9.6% p-isomer and about 11% o-isomer. Similar reaction with PhCl gave 62% mixed isomers of ClC6H4CH2Cl, b34 113-16� which on freezing gave 30% p-isomer, m. 27-8� the latter oxidized completely to p-ClC6H4CO2H, and oxidation of the total mixture indicated the formation of 62.6% p-isomer. Similarly, PhBr gave 76.2% mixed BrC6H4CH2Cl, b3 83-7� which gave 35% p-isomer, m. 37-8� oxidation with CrO3 showed the total formation of 58% p-isomer and residual 42-3% o-isomer. PhI similarly gave 76% chloromethylation product, b5 113-17� which gave 30% p-IC6H4CH2Cl, m. 52-3� while oxidation of the products with CrO3 showed 52.4% p- and 47% o-isomer. Oxidation of chloromethylated halobenzenes with HNO3 gave similar results for Cl and Br derivatives, but the iodine-derivative failed to give a product containing iodine.

Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya published new progress about Chloromethylation. 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

Lukin, Kirill; Kishore, Vimal; Gordon, Thomas published the artcile< Development of a Scalable Synthesis of Oxadiazole Based S1P1 Receptor Agonists>, Electric Literature of 112-63-0, the main research area is scalable oxadiazole synthesis S1P1 receptor agonist; byproduct triphenylphosphine oxide removal magnesium complex formation; oxadiazole improved synthesis cyclization acylamidoxime DBU.

A robust and scalable synthesis was developed for the preparation of oxadiazole based S1P1 inhibitors I and II. A new method for the separation of triphenylphosphine oxide from reaction products and an improved method for the synthesis of oxadiazoles in the presence of DBU were incorporated into the process to achieve its scalability.

Organic Process Research & Development published new progress about Sphingosine-1-phosphate receptor 1 Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 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