853049-42-0

Basic information

• Product Name: Carbamic acid, [3-[[2-(3,4-dimethoxyphenyl)-1-methylethyl]amino]-3-oxopropyl]-, phenylmethyl ester
• CAS NO: 853049-42-0
• Molecular Formula: C22H28N2O5
• Molecular Weight: 400.475
• Mol File: 853049-42-0.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: Carbamic acid, [3-[[2-(3,4-dimethoxyphenyl)-1-methylethyl]amino]-3-oxopropyl]-, phenylmethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Carbamic acid, [3-[[2-(3,4-dimethoxyphenyl)-1-methylethyl]amino]-3-oxopropyl]-, phenylmethyl ester(853049-42-0)
• EPA Substance Registry System: Carbamic acid, [3-[[2-(3,4-dimethoxyphenyl)-1-methylethyl]amino]-3-oxopropyl]-, phenylmethyl ester(853049-42-0)

Safety Data

• Hazardous Substances Data: 853049-42-0(Hazardous Substances Data)

Upstream product

• 120-26-3 2-(3,4-dimethoxyphenyl)-1-methylethylamine 
• 2304-94-1 3-(benzyloxycarbonylamino)propanoic acid 

Downstream Products

• 853049-43-1 1-[2'-(benzyloxycarbonylamino)ethyl]-3-methyl-6,7-dimethoxy-3,4-dihydroisoquinoline 

Relevant articles and documents

Substituent effects in the ring-chain tautomerism of 4-aryl-1,3,4,6,7,11b- hexahydro-2H-pyrimido[6,1-a]isoquinolines

By condensation of 1-(2′-aminoethyl)-1,2,3,4-tetrahydroisoquinoline derivatives with substituted benzaldehydes, 1,6-unsubstituted and diastereomers of 1-methyl- or 6-methyl-substituted 4-aryl-9,10-dimethoxy-1,3,4,6,7,11b- hexahydro-2H-pyrimido[6,1-a]isoquinolines were prepared. The ring-chain tautomeric equilibria of most of these compounds in CDCl3 at 300 K were found to be shifted nearly totally towards either the cyclic or the open tautomeric forms, while the (6R*,11bR*)-6-methyl substituted compounds proved to be three-component tautomeric mixtures, the equilibria of which could be characterized by a Hammett-type equation. The conformational equilibria of the cyclic forms turned out to be strongly influenced by the 1- and 6-methyl substituents and the configurations of the substituted carbons (C-1 or C-6 and C-4) relative to C-11b.