5440-50-6

Basic information

• Product Name: diethyl 2-acetamido-2-[(2-chlorophenyl)methyl]propanedioate
• CAS NO: 5440-50-6
• Molecular Formula: C₁₆H₂₀ClNO₅
• Molecular Weight: 341.791
• Mol File: 5440-50-6.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 475.3°Cat760mmHg
• Flash Point: 241.2°C
• Density: 1.224g/cm³
• CAS DataBase Reference: diethyl 2-acetamido-2-[(2-chlorophenyl)methyl]propanedioate(CAS DataBase Reference)
• NIST Chemistry Reference: diethyl 2-acetamido-2-[(2-chlorophenyl)methyl]propanedioate(5440-50-6)
• EPA Substance Registry System: diethyl 2-acetamido-2-[(2-chlorophenyl)methyl]propanedioate(5440-50-6)

Safety Data

• Hazardous Substances Data: 5440-50-6(Hazardous Substances Data)

Upstream product

• 95-49-8 2-methylchlorobenzene 
• 105-53-3 diethyl malonate 
• 1068-90-2 2-acetylaminomalonic acid diethyl ester 
• 30412-43-2 sodium diethylacetamidomalonate 
• 611-19-8 1-chloro-2-(chloromethyl)benzene 
• 611-17-6 1-bromomethyl-2-chlorobenzene 

Downstream Products

• 120108-63-6 2-amino-3-(2-chlorophenyl)propionic acid hydrochloride 
• 861054-40-2 N-[1-(2-chloro-benzyl)-2-oxo-propyl]-acetamide 
• 103522-34-5 (S)-N-acetyl-o-chlorophenylalanine 
• 103616-89-3 (2S)-2-amino-3-(2-chlorophenyl)propanoic acid 
• 856571-32-9 3-(2-chlorophenyl)-2-{2-[(1H-indole-2-carbonyl)amino]benzoylamino}propionic acid ethyl ester 
• 856571-13-6 2-(2-aminobenzoylamino)-3-(2-chlorophenyl)propionic acid ethyl ester 
• 6955-12-0 (+/-)-N-acetyl-3-(2-chlorophenyl)alanine 
• 855650-84-9 acetylamino-(2-chloro-benzyl)-malonic acid 
• 14091-11-3 rac-2-chlorophenylalanine 

Relevant articles and documents

Anthranilic acid based CCK1 receptor antagonists: Preliminary investigation on their second "touch point"

In this phase of structure-affinity relationship study of VL-0395, a new anthranilic acid based CCK1 selective antagonist, we propose a series of unnatural aminoacidic derivatives. The result of this work is the identification of a new CCK ligand, which possesses an affinity (IC50 = 35 nm) one order of magnitude greater than the lead and, as a general rule, it points out how the hypothesized receptorial pocket which accommodates the Phe residue allows much more structural modification than that interacting with the N-terminal group. Hence, the modification of the C-terminal pharmacophoric group of our lead VL-0395 can not only enhance the affinity of anthranilic acid derivatives but can modulate the selectivity for one CCK receptor subtype or afford mixed antagonists.

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.

Substituted acetamidomalonic esters and DL-2-acetamido acids as antitumor agents.

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