38488-01-6

Basic information

• Product Name: Benzenemethanol, a-butyl-, acetate
• CAS NO: 38488-01-6
• Molecular Formula: C13H18O2
• Molecular Weight: 206.285
• Mol File: 38488-01-6.mol
• Article Data: 18

Chemical Properties

• CAS DataBase Reference: Benzenemethanol, a-butyl-, acetate(CAS DataBase Reference)
• NIST Chemistry Reference: Benzenemethanol, a-butyl-, acetate(38488-01-6)
• EPA Substance Registry System: Benzenemethanol, a-butyl-, acetate(38488-01-6)

Safety Data

• Hazardous Substances Data: 38488-01-6(Hazardous Substances Data)

Upstream product

• 1009-14-9 phenyl butyl ketone 
• 64-19-7 acetic acid 
• 540-88-5 acetic acid tert-butyl ester 
• 583-03-9 1-Phenyl-1-pentanol 
• 54929-04-3 3-phenylheptan-2-one 
• 123-20-6 vinyl n-butyrate 
• 2146-71-6 vinyl laurate 
• 108-05-4 vinyl acetate 
• 105-38-4 vinyl propionate 
• 19641-53-3 (R)-1-phenylpentan-1-ol 
• 108-24-7 acetic anhydride 
• 17279-31-1 (-)-(S)-N,N-dimethyl-1-phenylethylamine 
• 141-78-6 ethyl acetate 
• 100-52-7 benzaldehyde 

Downstream Products

• 19641-53-3 (R)-1-phenylpentan-1-ol 
• 33652-83-4 (S)-(-)-1-phenylpentanol 
• 87190-42-9 (S)-1-phenylpentyl acetate 
• 38488-01-6 (R)-(1-phenyl)-1-pentyl acetate 
• 583-03-9 1-Phenyl-1-pentanol 
• 344445-77-8 2-(1-Phenylpentyl)-1-cyclopentanon 

Relevant articles and documents

Highly Focused Library-Based Engineering of Candida antarctica Lipase B with (S)-Selectivity Towards sec-Alcohols

Candida antarctica lipase B (CALB) is one of the most extensively used biocatalysts in both academia and industry and exhibits remarkable (R)-enantioselectivity for various chiral sec-alcohols. Considering the significance of tailor-made stereoselectivity in organic synthesis, a discovery of enantiocomplementary lipase mutants with high (R)- and (S)-selectivity is valuable and highly desired. Herein, we report a highly efficient directed evolution strategy, using only 4 representative amino acids, namely, alanine (A), leucine (L), lysine (K), tryptophan (W) at each mutated site to create an extremely small library of CALB variants requiring notably less screening. The obtained best mutant with three mutations W104V/A281L/A282K displayed highly reversed (S)-selectivity towards a series of sec-alcohol with E values up to 115 (conv. 50%, ee 94%). Compared with the previously reported (S)-selective CALB variant, W104A, a single mutation provided less selectivity, while the synergistic effects of three mutations in the best variant endow better (S)-selectivity and a broader substrate scope than the W104A variant. Structural analysis and molecular dynamics simulation unveiled the source of reversed enantioselectivity. (Figure presented.).

Base-catalyzed selective esterification of alcohols with unactivated esters

A practical and efficient base-catalyzed esterification has been developed for the facile synthesis of a broad range of esters from simple alcohols with unactivated tert-butyl esters. This protocol could be conducted at mild conditions, providing esters in high to excellent yields with good functional tolerance. Mechanistic studies provided evidence of an exchange of the tert-butyl alkoxide metal with the alcohol, producing a new alkoxide to participate in the transesterification reaction.

Improved enantioselectivity of thermostable esterase ST0071 from archaeon Sulfolobus tokodaii by site-saturation mutagenesis

An archaeon GGG(A)X-type esterase (ST0071) can catalyze the hydrolysis of various acetates of secondary alcohols, but shows low enantioselectivity. Using structure-guided site-saturation mutagenesis, we successfully identified a G274W variant that has excellent selectivity compared with that of wild-type ST0071.