1345507-85-8

Basic information

• Product Name: (R)-3-chloro-1-(4-iodophenyl)propyl acetate
• CAS NO: 1345507-85-8
• Molecular Weight: 338.573
• Mol File: 1345507-85-8.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: (R)-3-chloro-1-(4-iodophenyl)propyl acetate(CAS DataBase Reference)
• NIST Chemistry Reference: (R)-3-chloro-1-(4-iodophenyl)propyl acetate(1345507-85-8)
• EPA Substance Registry System: (R)-3-chloro-1-(4-iodophenyl)propyl acetate(1345507-85-8)

Safety Data

• Hazardous Substances Data: 1345507-85-8(Hazardous Substances Data)

Upstream product

• 31736-74-0 3-chloro-1-(4-iodophenyl)propan-1-one 
• 591-50-4 iodobenzene 
• 108-05-4 vinyl acetate 
• 31736-78-4 3-chloro-1-(4-iodophenyl)propan-1-ol 

Downstream Products

• 1345507-89-2 (R)-3-chloro-1-(4-iodophenyl)propan-1-ol 

Relevant articles and documents

Lipase-catalyzed synthesis of both enantiomers of 3-chloro-1-arylpropan-1- ols

The lipase-catalyzed synthesis of both enantiomers of 3-chloro-1-(4- fluorophenyl)propan-1-ol, 3-chloro-1-(4-iodophenyl)propan-1-ol, and 3-chloro-1-phenylpropan-1-ol is described. The procedure is based on the enantiomer-selective acylation of the racemic alcohols in presence of lipase from Pseudomonas fluorescens (LAK) followed by the lipase from Candida rugosa (CRL) mediated hydrolysis of previously obtained enantiomerically enriched 1-aryl-3-chloropropyl esters. For the production of enantiopure (S)-1-aryl-3-chloropropan-1-ols (99% ee, 34-42% yield) the reactions were stopped at higher conversions than the theoretical optimum of 50%, while for enantiopure (R)-1-aryl-3-chloropropyl acetates (99% ee) the reactions were stopped at lower conversions. The latter compounds were enzymatically hydrolyzed into the corresponding (R)-1-aryl-3-chloropropan-1-ols (97-99% ee, 18-24% yield). The absolute configuration of the resolution products was determined by VCD measurements combined with quantum chemical calculations. Georg Thieme Verlag Stuttgart - New York.