Tag: M.W=100-150

Xiang, Xiao-le; Jin, Guo-feng; Gouda, Mostafa; Jin, Yong-guo; Ma, Mei-hu published the artcile< Characterization and classification of volatiles from different breeds of eggs by SPME-GC-MS and chemometrics>, Recommanded Product: 2-Ethylhexan-1-ol, the main research area is chicken egg alkane aldehyde alc ketone terpenoid amine chemometrics; Characterization; Classification; Discriminate; Multivariate analysis; SPME-GC–MS; Shell hatching egg; Volatiles.

Volatiles of shell eggs were identified by SPME-GC-MS to characterize and discriminate white Leghorn (W), Hy-line brown (H) and Jing fen (J) hatching eggs with comparison, principal components (PC), partial least squares (PLS), random forest classification (RFC) and canonical discriminant (CD) analyses. DVB/CAR/PDMS fiber and extraction 60 min were suited to analyze the volatiles emitted from eggs. A total of 17 or 18 volatile compounds were identified in raw shell hatching eggs, namely, nonanal, decanal and 6-methly-5-hepten-2-one were the main volatile components with contributions that over 70%. The composition and/or profile of volatile compounds from W and H eggs were much more similar than J eggs. Hexanal, decanal, 6-methly-5-hepten-2-one, heptanal, etc. have greatly contributed to the distinction of W, H and J eggs in sparse (S)-PLS and orthogonal (O)-PLS models. The accuracy of RFC and CD model were 100%, 100% (initial) and 83.3% (cross-validation), resp. Heptanal, 6-methly-5-hepten-2-one, octanal, etc. were contributed pos. to the classification of W, H, J eggs in RFC, especially for heptanal.

Food Research International published new progress about Chemometrics. 104-76-7 belongs to class alcohols-buliding-blocks, and the molecular formula is C8H18O, Recommanded Product: 2-Ethylhexan-1-ol.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Wan, Xiao-Min; Liu, Zi-Lin; Liu, Wan-Qing; Cao, Xiao-Niu; Zhu, Xinju; Zhao, Xue-Mei; Song, Bing; Hao, Xin-Qi; Liu, Guoji published the artcile< NNN pincer Ru(II)-catalyzed dehydrogenative coupling of 2-aminoarylmethanols with nitriles for the construction of quinazolines>, Name: (2-Aminophenyl)methanol, the main research area is aminobenzyl alc nitrile ruthenium catalyst oxidative coupling reaction; quinazoline preparation green chem.

An efficient NNN pincer Ru(II)-catalyzed preparation of quinazolines via acceptorless dehydrogenative strategy was developed. Under the optimized conditions, a broad range of substituted o-aminobenzyl alcs. and (hetero)aryl or alkyl nitriles were well tolerated to afford various 2-substituted quinazolines in high yields. Subsequently, a set of control experiments was performed to elucidate the reaction mechanism, which underwent alc. oxidation, nitrile hydration and cyclocondensation steps. This protocol was featured with several advantages, such as environmental benignity, operational simplicity, broad substrate scope (compatible with aliphatic nitriles, up to 87% yield) and short reaction time (mostly in 2 h).

Tetrahedron published new progress about Aralkyl alcohols Role: RCT (Reactant), RACT (Reactant or Reagent). 5344-90-1 belongs to class alcohols-buliding-blocks, and the molecular formula is C7H9NO, Name: (2-Aminophenyl)methanol.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

de Beer, Roseri J. A. C.; Boegels, Berry; Schaftenaar, Gijs; Zarzycka, Barbara; Quaedflieg, Peter J. L. M.; van Delft, Floris L.; Nabuurs, Sander B.; Rutjes, Floris P. J. T. published the artcile< Enzyme-Specific Activation versus Leaving Group Ability>, COA of Formula: C5H11NO, the main research area is trypsin catalysis dipeptide synthesis substrate preparation leaving group.

Enzyme-specific activation and the substrate mimetics strategy are effective ways to circumvent the limited substrate recognition often encountered in protease-catalyzed peptide synthesis. A key structural element in both approaches is the guanidinophenyl (OGp) ester, which enables important interactions for affinity and recognition by the enzyme; at least, this is usually the explanation given for its successful application. In this study we show that leaving group ability is of equal or even greater importance. To this end we used both exptl. and computational methods to examine: (1) synthesis of close analogs of OGp, and their evaluation in a dipeptide synthesis assay with trypsin, (2) mol. docking studies to provide insights into the binding mode, and (3) ab initio calculations to evaluate their electronic properties.

ChemBioChem published new progress about Dipeptides Role: BPN (Biosynthetic Preparation), BIOL (Biological Study), PREP (Preparation) (synthesis). 45434-02-4 belongs to class alcohols-buliding-blocks, and the molecular formula is C5H11NO, COA of Formula: C5H11NO.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Huo, Shuaicong; Kong, Siqi; Zeng, Guang; Feng, Qi; Hao, Zhiqiang; Han, Zhangang; Lin, Jin; Lu, Guo-Liang published the artcile< Efficient access to quinolines and quinazolines by ruthenium complexes catalyzed acceptorless dehydrogenative coupling of 2-aminoarylmethanols with ketones and nitriles>, Safety of (2-Aminophenyl)methanol, the main research area is quinoline preparation; quinazoline preparation; ketone aminoarylmethanol dehydrogenative coupling reaction ruthenium catalyst; nitrile aminoarylmethanol dehydrogenative coupling reaction ruthenium catalyst.

Treatment of N,N,O-tridentate pyrazolyl-pyridinyl-alc. ligands, I (R = H, Me; R1 = H, Me, Ph; R2 = Me, Ph) with RuCl3·xH2O in refluxing EtOH afforded the corresponding Ru(III) complexes II, as chlorides, which were well characterized by IR, HR-MS and X-ray single crystal structural determination These Ru complexes II showed similarly high catalytic performance for both dehydrogenative couplings of 2-aminoarylmethanols [2-NH2-3-R3-5-R4C6H2CH2OH (R3 = H, Me, Br; R4 = H, F, Cl, Br) and 3-amino-3-phenyl-1-propanol] with ketones [R5C(O)CH3 (R5 = Ph, pyridin-3-yl, thiophen-2-yl, etc.), cycloheptanone and 1,2,3,4-tetrahydronaphthalen-1-one] and nitriles R6CN (R6 = Ph, 3-bromophenyl, thien-2-yl, etc.), giving the quinolines III, IV, V and 2,6-diphenylpyridine and quinazolines VI in good to excellent yields. This protocol provides an atom-economical and sustainable route to access various structurally important quinolines III, IV, V and 2,6-diphenylpyridine and quinazolines VI derivatives by using phosphine-free ligand based Ru catalysts II.

Molecular Catalysis published new progress about Amino alcohols Role: RCT (Reactant), RACT (Reactant or Reagent). 5344-90-1 belongs to class alcohols-buliding-blocks, and the molecular formula is C7H9NO, Safety of (2-Aminophenyl)methanol.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Kuljiraseth, J.; Wangriya, A.; Malones, J. M. C.; Klysubun, W.; Jitkarnka, S. published the artcile< Synthesis and characterization of AMO LDH-derived mixed oxides with various Mg/Al ratios as acid-basic catalysts for esterification of benzoic acid with 2-ethylhexanol>, SDS of cas: 104-76-7, the main research area is aqueous miscible organic solvent layered double hydroxide esterification; acid base property.

Proven to possess distinguishable phys. and acid-base properties superior to conventional LDHs, aqueous miscible organic solvent-layered double hydroxides (AMO-LDHs) were thus synthesized and used as precursors to prepare the Mg/Al mixed oxide catalysts in this work. The AMO-LDH based oxide catalysts with various ratios of Mg/Al were studied for the chem. and phys. properties and the activity on esterification of benzoic acid with 2-ethylhexanol. The catalysts were characterized using BET, XRD, TGA, and XPS. Moreover, the acid-base properties were studied. As a result, the Mg/Al mixed oxides after calcination at 500 °C still had the clay structure, and were found to possess both acid and base sites. As the Mg/Al ratio increased, the total d. of acid and basic sites decreased. Moreover, the acid-basic strength depended on their phase compositions and coordination number The activity of calcined LDHs catalysts was tested for the esterification of benzoic acid with 2-ethylhexanol, aimed at producing 2-ethylhexyl benzoate as the desired chem. The products were analyzed using GC-MS/TOF. In summary, the conversion of benzoic acid was enhanced significantly using the Mg-Al mixed oxides as the catalysts, owing to the acid-base sites (both Mg2+-O2- and Al3+-O2- pairs) of the catalysts. The catalyst with the Mg/Al ratio of 4:1 can convert 66% benzoic acid to 2-ethylhexyl benzoate. Moreover, the other products were composed of 2-ethylhexanal, 3-heptanone, and 3-heptanol because of acid-base pairs.

Applied Catalysis, B: Environmental published new progress about Acidity. 104-76-7 belongs to class alcohols-buliding-blocks, and the molecular formula is C8H18O, SDS of cas: 104-76-7.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Passera, Alessandro; Mezzetti, Antonio published the artcile< The Manganese(I)-Catalyzed Asymmetric Transfer Hydrogenation of Ketones: Disclosing the Macrocylic Privilege>, Related Products of 403-41-8, the main research area is chiral aryl alkyl alc synthesis asym transfer hydrogenation acetophenone; ligand designed manganese catalyzed asym transfer hydrogenation acetophenone; alcohols; asymmetric catalysis; hydrogenation; ligand design; manganese.

The bis(carbonyl) manganese(I) complex [Mn(CO)2(ligand)]Br with a chiral (NH)2P2 macrocyclic ligand catalyzes the asym. transfer hydrogenation of polar double bonds with 2-propanol as the hydrogen source. Ketones (43 substrates) are reduced to alcs. in high yields (up to >99%) and with excellent enantioselectivities (90-99% ee). A stereochem. model based on attractive CH-π interactions is proposed.

Angewandte Chemie, International Edition published new progress about Acetophenones Role: RCT (Reactant), RACT (Reactant or Reagent). 403-41-8 belongs to class alcohols-buliding-blocks, and the molecular formula is C8H9FO, Related Products of 403-41-8.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Bohigues, Benjamin; Rojas-Buzo, Sergio; Moliner, Manuel; Corma, Avelino published the artcile< Coordinatively Unsaturated Hf-MOF-808 Prepared via Hydrothermal Synthesis as a Bifunctional Catalyst for the Tandem N-Alkylation of Amines with Benzyl Alcohol>, Product Details of C9H8O, the main research area is coordinatively unsaturated hafnium MOF808 hydrothermal bifunctional catalyst.

The modulated hydrothermal synthesis (MHT) of an active and selective Hf-MOF-808 material for the N-alkylation reaction of aniline with benzyl alc. under base-free mild reaction conditions is reported. Through kinetic experiments and isotopically labeled NMR spectroscopy studies we have demonstrated that the reaction mechanism occurs via borrowing hydrogen (BH) pathway, in which the alc. dehydrogenation is the limiting step. The high concentration of defective – OH groups generated on the metallic nodes through MHT synthesis enhances the alc. activation, while the unsaturated Hf4+,which acts as Lewis acid site, is able to borrow the hydrogen from the methylene position of benzyl alc. This fact makes this material at least 14 times more active for the N-alkylation reaction than the material obtained via solvothermal synthesis. The methodol. described in this work could be applied to a wide range of aniline and benzyl alc. derivates, showing in all cases high selectivity toward the corresponding N-benzylaniline product. Finally, Hf-MOF-808, which acts as a true heterogeneous catalyst, can be reused at least four consecutive runs without any activity loss.

ACS Sustainable Chemistry & Engineering published new progress about Alkylation. 10602-04-7 belongs to class alcohols-buliding-blocks, and the molecular formula is C9H8O, Product Details of C9H8O.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Xiao, Miao; Yue, Xin; Xu, Ruirui; Tang, Weijun; Xue, Dong; Li, Chaoqun; Lei, Ming; Xiao, Jianliang; Wang, Chao published the artcile< Transition-Metal-Free Hydrogen Autotransfer: Diastereoselective N-Alkylation of Amines with Racemic Alcohols>, Reference of 403-41-8, the main research area is diastereoselective alkylation amines alc chiral amine synthesis; alcohols; alkylation; amines; deuterium; reaction mechanisms.

A practical method for the synthesis of α-chiral amines by alkylation of amines with alcs. in the absence of any transition-metal catalysts has been developed. Under the co-catalysis of a ketone and NaOH, racemic secondary alcs. reacted with Ellman’s chiral tert-butanesulfinamide by a hydrogen autotransfer process to afford chiral amines with high diastereoselectivities (up to >99:1) [e.g., 1-phenylethanol + (R)-(+)-tert-butanesulfinamide → I (70%, > 95:5 d.r.) in presence of acetophenone and NaOH in toluene]. Broad substrate scope and up to a 10 g scale production of chiral amines were demonstrated. The method was applied to the synthesis of chiral deuterium-labeled amines with high deuterium incorporation and optical purity, including examples of chiral deuterated drugs. The configuration of amine products is found to be determined solely by the configuration of the chiral tert-butanesulfinamide regardless of that of alcs., and this is corroborated by DFT calculations Further mechanistic studies showed that the reaction is initiated by the ketone catalyst and involves a transition state similar to that proposed for the Meerwein-Ponndorf-Verley (MPV) reduction, and importantly, it is the interaction of the sodium cation of the base with both the nitrogen and oxygen atoms of the sulfinamide moiety that makes feasible, and determines the diastereoselectivity of, the reaction.

Angewandte Chemie, International Edition published new progress about Alkylation catalysts, stereoselective. 403-41-8 belongs to class alcohols-buliding-blocks, and the molecular formula is C8H9FO, Reference of 403-41-8.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Arslan, Burcu; Gulcemal, Suleyman published the artcile< α-Alkylation of arylacetonitriles with primary alcohols catalyzed by backbone modified N-heterocyclic carbene iridium(I) complexes>, Computed Properties of 5344-90-1, the main research area is nitrogen heterocyclic carbene iridium complex preparation; aryl arylpropanenitrile preparation; arylquinolin amines preparation; arylacetonitrile alc alpha alkylation catalyst nitrogen heterocyclic carbene iridium.

A series of backbone-modified N-heterocyclic carbene (NHC) complexes of iridium(I) I [Ar = 4-MeOC6H4; Y = X = Ph, 4-MeOC6H4; YX = HC=CHCH=CH] had been synthesized and characterized. The electronic properties of the NHC ligands had been assessed by comparison of the IR carbonyl stretching frequencies of the in situ prepared [IrCl(CO)2(NHC)] complexes in CH2Cl2. These new complexes I [Ar = Ph, 4-CF3C6H4, 4-MeOC6H4; Y = X = H], together with previously prepared I [Ar = 4-MeOC6H4; Y = X = Ph, 4-MeOC6H4; YX = HC=CHCH=CH], were applied as catalysts for the α-alkylation of arylacetonitriles with an equimolar amount of primary alcs. or 2-aminobenzyl alc. The catalytic activities of these complexes I [Ar = Ph, 4-CF3C6H4, 4-MeOC6H4; Y = X = H, Ph, 4-MeOC6H4; YX = HC=CHCH=CH] could be controlled by modifying the N-substituents and backbone of the NHC ligands. The NHC-IrI complex I [Ar = Y = X = 4-MeOC6H4] bearing 4-methoxybenzyl substituents on the N-atoms and 4-methoxyphenyl groups at the 4,5-positions of imidazole exhibited the highest catalytic activity in the α-alkylation of arylacetonitriles with primary alcs. Various α-alkylated nitriles Ar1CH(CN)CH2Ar2 [Ar1 = Ph, 4-MeC6H4, 4-MeOC6H4, etc.; Ar2 = Ph, 2-pyridyl, 4-MeC6H4, etc.] and aminoquinolines II [R = H, Cl, Br, Me, OMe] were obtained in high yields through a borrowing hydrogen pathway by using 0.1 mol% I [Ar = Y = X = 4-MeOC6H4] and a catalytic amount of KOH (5 mol%) under an air atm. within significantly short reaction times.

Dalton Transactions published new progress about Acetonitriles Role: RCT (Reactant), RACT (Reactant or Reagent) (aryl). 5344-90-1 belongs to class alcohols-buliding-blocks, and the molecular formula is C7H9NO, Computed Properties of 5344-90-1.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Ananiadou, Antonela; Papamokos, George; Steinhart, Martin; Floudas, George published the artcile< Effect of confinement on the dynamics of 1-propanol and other monohydroxy alcohols>, HPLC of Formula: 104-76-7, the main research area is monohydroxy alc dynamic confinement.

We report the effect of confinement on the dynamics of three monohydroxy alcs. (1-propanol, 2-ethyl-1-hexanol, and 4-methyl-3-heptanol) differing in their chem. structure and, consequently, in the dielec. strength of the “”Debye”” process. D. functional theory calculations in bulk 1-propanol identified both linear and ring-like associations composed of up to five repeat units. The simulation results revealed that the ring structures, with a low dipole moment (∼2 D), are energetically preferred over the linear assemblies with a dipole moment of 2.18 D per repeat unit. Under confinement in nanoporous alumina (in templates with pore diameters ranging from 400 to 20 nm), all dynamic processes were found to speed up irresp. of the mol. architecture. The characteristic freezing temperatures of the α and the Debye-like processes followed the pore size dependence: Ta,D = Tbulka,D – A/d1/2, where d is the pore diameter The characteristic “”freezing”” temperatures for the Debye-like (the slow process for confined 1-propanol is non-Debye) and the α-processes decrease, resp., by 6.5 and 13 K in confined 1-propanol, by 9.5 and 19 K in confined 2-ethyl-1-hexanol, and by 9 and 23 K in confined 4-methyl-3-heptanol within the same 25 nm pores. In 2-ethyl-1-hexanol, confinement reduced the number of linearly associated repeats from approx. heptamers in the bulk to dimers within 25 pores. In addition, the slower process in bulk 2-ethyl-1-hexanol and 4-methyl-3-heptanol, where the signal is dominated by ring-like supramol. assemblies, is clearly non-Debye. The results suggest that the effect of confinement is dominant in the latter assemblies. (c) 2021 American Institute of Physics.

Journal of Chemical Physics published new progress about Alcohols Role: PRP (Properties). 104-76-7 belongs to class alcohols-buliding-blocks, and the molecular formula is C8H18O, HPLC of Formula: 104-76-7.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts