21172-44-1

Basic information

• Product Name: Propanedioic acid, (acetylamino)[[3-(trifluoromethyl)phenyl]methyl]-, diethyl ester
• CAS NO: 21172-44-1
• Molecular Formula: C17H20F3NO5
• Molecular Weight: 375.345
• Mol File: 21172-44-1.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: Propanedioic acid, (acetylamino)[[3-(trifluoromethyl)phenyl]methyl]-, diethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Propanedioic acid, (acetylamino)[[3-(trifluoromethyl)phenyl]methyl]-, diethyl ester(21172-44-1)
• EPA Substance Registry System: Propanedioic acid, (acetylamino)[[3-(trifluoromethyl)phenyl]methyl]-, diethyl ester(21172-44-1)

Safety Data

• Hazardous Substances Data: 21172-44-1(Hazardous Substances Data)

Upstream product

• 1068-90-2 2-acetylaminomalonic acid diethyl ester 
• 402-23-3 1-bromomethyl-3-trifluoromethylbenzene 
• 105-53-3 diethyl malonate 

Downstream Products

• 82317-76-8 methyl 2-acetamido-3-(3-(trifluoromethyl)phenyl)propanoate 
• 82317-72-4 methyl 2-acetamido-3-(3-(trifluoromethyl)phenyl)propanoate 
• 82317-79-1 (R)-2-Amino-3-(3-trifluoromethyl-phenyl)-propionic acid; hydrochloride 
• 82317-82-6 ((R)-2-(tert-butoxycarbonyl)amino)-3-(3-(trifluoromethyl)phenyl)propanoic acid 
• 82337-57-3 2-Acetamino-3-<3-trifluormethyl-phenyl>-propionsaeure 
• 63701-37-1 2-amino-3-(3-trifluoromethylphenyl)propanoic acid 

Relevant articles and documents

Synthetic and biotransformation studies on prochiral non-proteinogenic amino acids: Diethyl α-acetamido, α-alkylmalonates

Nine diethyl α-acetamido, α-alkylmalonates 3-11 (alkyl=methyl, benzyl, 3-fluorobenzyl, 4-fluorobenzyl, 2,6-difluorobenzyl, 3-trifluoromethylbenzyl, 4-trifluoromethylbenzyi, 2-chlorobenzyl and 3-chlorobenzyl) have been synthesised in three steps starting with diethyl malonate in overall yields of 49-90%. The structures of C-alkylated acetamidomalonates have been established on the basis of their speciral data, the structures of two compounds 9 and 11 are also confirmed on the basis of their X-ray crystallographic studies. Further, the X-ray crystal structure of the chiral monoethyl ester of α-acetamidomalonic acid 1 has been studied. None of our C-alkylated acetamidomalonate has been found to be a substrate for lipase-catalysed enantiodifferentiating deesterification/hydrolysis of the symmetric diester groups.