133412-36-9

Basic information

• Product Name: 4-acetoxy-α-cyanobenzylalcohol
• CAS NO: 133412-36-9
• Molecular Weight: 191.186
• Mol File: 133412-36-9.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 4-acetoxy-α-cyanobenzylalcohol(CAS DataBase Reference)
• NIST Chemistry Reference: 4-acetoxy-α-cyanobenzylalcohol(133412-36-9)
• EPA Substance Registry System: 4-acetoxy-α-cyanobenzylalcohol(133412-36-9)

Safety Data

• Hazardous Substances Data: 133412-36-9(Hazardous Substances Data)

Upstream product

• 118736-06-4 C₁₃H₁₇NO₃Si 
• 878-00-2 4-formylphenyl acetate 

Relevant articles and documents

Cooperative thiourea-Bronsted acid organocatalysis: Enantioselective cyanosilylation of aldehydes with TMSCN

We report a new thiourea - Bronsted acid cooperative catalytic system for the enantioselective cyanosilylation of aldehydes with yields up to 90% and enantioselectivities up to 88%. The addition of an achiral acid was found to be crucial for high asymmetric induction. Mechanistic investigations using a combination of NMR, ESI-MS, and density functional theory computations (including solvent corrections) at the M06/6-31G(d,p) level of theory suggest that the key catalytic species results from the cooperative interaction of bifunctional thioureas and an achiral acid that form well-defined chiral hydrogen-bonding environments.