471843-19-3

Basic information

• Product Name: Butanoic acid, (1R)-1-(phenoxymethyl)butyl ester
• CAS NO: 471843-19-3
• Molecular Formula: C15H22O3
• Molecular Weight: 250.338
• Mol File: 471843-19-3.mol
• Article Data: 3

Chemical Properties

• CAS DataBase Reference: Butanoic acid, (1R)-1-(phenoxymethyl)butyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Butanoic acid, (1R)-1-(phenoxymethyl)butyl ester(471843-19-3)
• EPA Substance Registry System: Butanoic acid, (1R)-1-(phenoxymethyl)butyl ester(471843-19-3)

Safety Data

• Hazardous Substances Data: 471843-19-3(Hazardous Substances Data)

Upstream product

• 371-27-7 2,2,2-trifluoroethylbutyrate 
• 87034-17-1 1-phenoxy-2-pentanol 
• 57392-44-6 2,2,2-trichloroethyl butyrate 
• 123-20-6 vinyl n-butyrate 
• 6065-72-1 2-chloroethyl butanoate 

Relevant articles and documents

Immobilization does not influence the enantioselectivity of CAL-B catalyzed kinetic resolution of secondary alcohols

Decreasing enantioselectivity (E-value) by increasing conversion has been observed in transesterification reactions of secondary alcohols catalyzed by a pure protein formulation of lipase B from Candida antarctica (Novozym 525 F). Addition of a range of e

Water content influences the selectivity of CALB-catalyzed kinetic resolution of phenoxymethyl-substituted secondary alcohols

Derivatives of 1-phenoxy-2-alkanols were kinetically resolved by esterification with irreversible and reversible acyl donors using lipase B from Candida antarctica (Novozyme 435) as a catalyst. To optimize the relative rate of reaction (the E-value), esterifications in eight different solvents with different water activities were performed. For 3-bromo-1-phenoxy-2-propanol (1), the E-values in all the solvents were higher when the water activity was increased, while the E-values for 1-phenoxy-2-pentanol (2) and 3-chloro-1-phenoxy-2-propanol (3) decreased by increasing water activity. The water content of the various reaction media with the same water activity was determined. Solvents such as 1,4-dioxane, acetonitrile, and tetrahydrofuran contained much more water than hexane, carbon tetrachloride, cyclohexane, toluene, and benzene. At high-water activity, the high-water content of the former group of solvents resulted in termination of the reaction at low conversion. The reason seemed to be that the acyl donor and possibly also the produced esters were hydrolyzed. This was not the case when the esterification was performed in water-immiscible solvents with the same water activity.