138948-58-0

Basic information

• Product Name: Benzenemethanol, -alpha--methyl-4-(2-methylpropyl)-, acetate (9CI)
• Synonyms: Benzenemethanol, -alpha--methyl-4-(2-methylpropyl)-, acetate (9CI)
• CAS NO: 138948-58-0
• Molecular Formula: C₁₄H₂₀O₂
• Molecular Weight: 220.3074
• Product Categories: ACIDHALIDE
• Mol File: 138948-58-0.mol

Chemical Properties

• Appearance: /
• CAS DataBase Reference: Benzenemethanol, -alpha--methyl-4-(2-methylpropyl)-, acetate (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: Benzenemethanol, -alpha--methyl-4-(2-methylpropyl)-, acetate (9CI)(138948-58-0)
• EPA Substance Registry System: Benzenemethanol, -alpha--methyl-4-(2-methylpropyl)-, acetate (9CI)(138948-58-0)

Safety Data

• Hazardous Substances Data: 138948-58-0(Hazardous Substances Data)

Upstream product

• 3240-34-4 [bis(acetoxy)iodo]benzene 
• 15687-27-1 ibuprofen 
• 142-71-2 copper diacetate 
• 64-19-7 acetic acid 
• 108-05-4 vinyl acetate 
• 40150-92-3 1-(4-isobutylphenyl)ethanol 
• 108-24-7 acetic anhydride 

Downstream Products

• 125653-66-9 (S)-(-)-1-(4-isobutylphenyl)ethanol 
• 130007-66-8 R-(-)-2-(4-isobutyl-phenyl)-2-hydroxyethane 
• 125653-69-2 Acetic acid (S)-1-(4-isobutyl-phenyl)-ethyl ester 
• 148366-88-5 ethyl (S)-4-[3-[4-[[1-(4-isobutylphenyl)ethyl]oxy]benzoyl]-1H-indol-1-yl]butyrate 
• 40150-92-3 1-(4-isobutylphenyl)ethanol 

Relevant articles and documents

Decarboxylative Acetoxylation of Aliphatic Carboxylic Acids

Organic molecules bearing acetoxy moieties are important functionalities in natural products, drugs, and agricultural chemicals. Synthesis of such molecules via transition metal-catalyzed C-O bond formation can be achieved in the presence of a carefully chosen directing group to alleviate the challenges associated with regioselectivity. An alternative approach is to use ubiquitous carboxylic acids as starting materials and perform a decarboxylative coupling. Herein, we report conditions for a photocatalytic decarboxylative C-O bond formation reaction that provides rapid and facile access to the corresponding acetoxylated products. Mechanistic investigations suggest that the reaction operates via oxidation of the carboxylate followed by rapid decarboxylation and oxidation by Cu(OAc)2

Hypervalent iodine(III)-mediated decarboxylative acetoxylation at tertiary and benzylic carbon centers

The decarboxylative acetoxylation of carboxylic acids using a combination of PhI(OAc)2 and I2 in a CH2Cl2/AcOH mixed solvent is reported. The reaction was successfully applied to two types of carboxylic acids containing an α-quaternary and a benzylic carbon center under mild reaction conditions. The resulting acetates were readily converted into the corresponding alcohols by hydrolysis.

Highly enantioselective aminoacylase-catalyzed transesterification of secondary alcohols

The aminoacylase (N-acyl-L-amino acid amidohydrolase; E.C. 3.5.1.14) from Aspergillus melleus, a readily available inexpensive enzyme, catalyzes the transesterification of a wide range of chiral secondary arylalkanols with essentially absolute stereoselectivity (E> 500). Moreover, the productivities obtained with 1-phenylethanol, 1-phenylpropanol, 1-(1-naphthyl)ethanol and 1- (2-naphthyl)ethanol were substantially higher than those in the corresponding lipase-catalyzed transesterifications. (C) 2000 Elsevier Science Ltd.

The development of non-steroidal dual inhibitors of both human 5α- reductase isozymes

The design, synthesis and biological properties of homochiral non- steroidal inhibitors of both isozymes of human 5α-reductase are described. The o-hydroxy aniline moiety of the initial lead (1) can be replaced by a 3- acyl indole isostere, whilst the minimum energy conformation of the benzyl ether in the potent inhibitor (3) is mimicked by the conformationally locked benzodioxolane system in the potent non-steroidal inhibitor (7). Pharmacokinetics and oral efficacy in a rat model of BPH are presented for (3) and (7).

LIPASE-CATALYZED IRREVERSIBLE TRANSESTERIFICATION USING ENOL ESTERS: XAD-8 IMMOBILIZED LIPOPROTEIN LIPASE-CATALYZED RESOLUTION OF SECONDARY ALCOHOLS

Procedures for preparation of XAD-8 immobilized lipoprotein lipase and the resolution of secondary alcohols of synthetic value in organic solvents using this immobilized enzyme have been developed.