29240-30-0

Usage

InChI:InChI=1/C12H16O2/c1-9(2)8-14-12(13)11-6-4-10(3)5-7-11/h4-7,9H,8H2,1-3H3

Upstream product

• 78-83-1 2-methyl-propan-1-ol 
• 874-60-2 4-methyl-benzoyl chloride 
• 589-18-4 4-Methylbenzyl alcohol 
• 104-87-0 4-methyl-benzaldehyde 

Downstream Products

• 303749-78-2 C₁₂H₁₅BrO₂ 

Relevant academic research and scientific papers

Metal-Free Oxidative Cross Esterification of Alcohols via Acyl Chloride Formation

A novel metal-free oxidative cross esterification of alcohols has been achieved using trichloroisocyanuric acid as an oxidant. The alcohols were converted in situ into their corresponding acyl chlorides, which were then reacted with primary and secondary aliphatic, benzylic and allylic alcohols and phenols. A wide variety of esters was obtained in satisfactory yields.

Metal-Free Direct Oxidation of Aldehydes to Esters Using TCCA

Aromatic and aliphatic aldehydes are simply converted into esters by an efficient oxidative esterification carried out under mild conditions. The aldehydes are converted in situ into their corresponding acyl chlorides, which are then reacted with primary and secondary aliphatic, benzylic, allylic, and propargylic alcohols and phenols. A variety of esters are obtained in high yields.

Palladium-catalysed oxidative cross-esterification between two alcohols

A simple palladium-catalysed oxidative cross-coupling between two different alcohols was developed. Various benzylic alcohols could couple with aliphatic alcohols in excellent yields. The use of benzyl chloride as the oxidant and the amount of aliphatic alcohol were both important for achieving the reaction selectivity.

Design, synthesis, and biological evaluation of novel triazole derivatives as inhibitors of cytochrome P450 14α-demethylase

Based on the results of computational docking to the active site of the cytochrome P450 14α-demethylase (CYP51), a series of 1-(1H-1,2,4-triazole-1-yl)-2-(2,4-difluorophenyl)-3-substituted-2-propanols as analogs of fluconazole were designed, synthesized, and evaluated as antifungal agents. The MIC80 values indicate that compounds 1a-n exhibited higher activity against nearly all fungi tested except Aspergillus fumigatus than fluconazole, while compounds 2a-f, 3a-f showed no activity or only moderate activity against all fungi tested. Noticeably, the MIC value of compounds 1a, 1b and 1g is 64 times lower than that of fluconazole against Microsporum gypseum in vitro. And compounds 1a, 1b and 2b showed 128 times higher activity (with the MIC80 value of 0.0039 μg/mL) than that of fluconazole against Candida albicans and also showed higher activity than that of the other positive controls. Computational docking experiments indicated that the inhibition of CYP51 involves a coordination bond with iron of the heme group, the hydrophilic H-bonding region, the hydrophobic region, and the narrow hydrophobic cleft. In addition, the activity of the compounds would be enhanced when the side chains were shorter.