870537-64-7

Basic information

• Product Name: Carbamic acid, [(2S)-3-[[(1S)-3-chloro-1-methyl-2-oxopropyl]amino]-2-[[(1,1-dimethyleth oxy)carbonyl]amino]-3-oxopropyl]-, phenylmethyl ester
• CAS NO: 870537-64-7
• Molecular Formula: C20H28ClN3O6
• Molecular Weight: 441.912
• Mol File: 870537-64-7.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: Carbamic acid, [(2S)-3-[[(1S)-3-chloro-1-methyl-2-oxopropyl]amino]-2-[[(1,1-dimethyleth oxy)carbonyl]amino]-3-oxopropyl]-, phenylmethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Carbamic acid, [(2S)-3-[[(1S)-3-chloro-1-methyl-2-oxopropyl]amino]-2-[[(1,1-dimethyleth oxy)carbonyl]amino]-3-oxopropyl]-, phenylmethyl ester(870537-64-7)
• EPA Substance Registry System: Carbamic acid, [(2S)-3-[[(1S)-3-chloro-1-methyl-2-oxopropyl]amino]-2-[[(1,1-dimethyleth oxy)carbonyl]amino]-3-oxopropyl]-, phenylmethyl ester(870537-64-7)

Safety Data

• Hazardous Substances Data: 870537-64-7(Hazardous Substances Data)

Upstream product

• 64981-26-6 H-Ala-CH₂Cl 
• 65710-57-8 3-{[(benzyloxy)carbonyl]amino}-N-(tert-butoxycarbonyl)-L-alanine 
• 7536-55-2 N-tert-butyloxycarbonylasparagine 
• 76387-70-7 (S)-3-amino-2-tert-butoxycarbonylaminopropionic acid 

Downstream Products

• 501022-77-1 3-aminomethyl-5,6-dimethyl-1,2-dihydropyrazin-2-one 
• 501022-63-5 3-(Z-aminomethyl)-5,6-dimethyl-1,2-dihydropyrazin-2-one 

Relevant articles and documents

Studies on the mechanism of 1,2-dihydropyrazin-2-one ring formation from dipeptidyl chloromethyl ketone and its chemical properties: Immediate deamination during catalytic hydrogenation

1,2-Dihydropyrazin-2-one derivatives, which have two aminoalkyl groups at the positions 3 and 6, were found to be efficient tools for the construction of potent, selective and long-acting opioid mimetics. During the course of preparation, we found that the catalytic hydrogenation of 3,6- bis(benzyloxycarbonylaminomethyl)-5-methyl-1,2-dihydropyrazin-2-one to remove the benzyloxycarbonyl groups resulted in a side reaction. By MS and NMR studies and by preparation of additional 1,2-dihydropyrazin-2-one derivatives, the structure of the by-product was identified as 3-aminomethyl-5,6-dimethyl-1,2- dihydropyrazin-2-one. Preparation of additional compounds substituted with deuterium provided us with sufficient information to confirm the structure of the product and to support a cyclization mechanism in its formation.