63064-21-1

Basic information

• Product Name: Benzenepropanoic acid, 1,1-dicyano-3-phenylpropyl ester
• CAS NO: 63064-21-1
• Molecular Formula: C20H18N2O2
• Molecular Weight: 318.375
• Mol File: 63064-21-1.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: Benzenepropanoic acid, 1,1-dicyano-3-phenylpropyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Benzenepropanoic acid, 1,1-dicyano-3-phenylpropyl ester(63064-21-1)
• EPA Substance Registry System: Benzenepropanoic acid, 1,1-dicyano-3-phenylpropyl ester(63064-21-1)

Safety Data

• Hazardous Substances Data: 63064-21-1(Hazardous Substances Data)

Upstream product

• 2942-58-7 diethyl cyanophosphonate 
• 501-52-0 3-Phenylpropionic acid 
• 375-72-4 Nonafluorobutanesulfonyl fluoride 
• 104192-56-5 (Z)-4-Phenyl-2-trimethylsilanyloxy-but-2-enenitrile 

Relevant articles and documents

Trimethylsilyl Cyanide - A Reagent for Umpolung, IX. Enol Esters of Acyl Cyanides: Syntheses and General Properties

According to Scheme 1 acyl cyanide-enol sulfonates 3-5, carboxylates 7-9, and phosphates 12 are synthesized on routes A-D in generally good yields.Judged by 13C NMR chemical shifts of C-3, the donor effect of the enol groups on the C=C bond decreases slightly in the order OP(O)(OEt)2 > OCO2Et > OCOCH3 > OCOCF3 > OSO2Me OSO2Ph > OSO2C4F9, but being always larger than the acceptor effect of the CN group.Reactions with nucleophiles to give 1,2-diketones (29, 30) and with radicals to form adducts 32 and 35 are described.Depending on the substituent pattern , and cycloadditions can be performed with 2f, 5f, and 12f.Different cyclopropanes 54 can be prepared from 5f.