830347-96-1

Basic information

• Product Name: Aspartic acid, 3-[(1,1-dimethylethyl)carbonimidoyl]-N-(ethoxyoxoacetyl)-N-(4-nitrophen yl)-, dimethyl ester
• CAS NO: 830347-96-1
• Molecular Formula: C21H25N3O9
• Molecular Weight: 463.444
• Mol File: 830347-96-1.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: Aspartic acid, 3-[(1,1-dimethylethyl)carbonimidoyl]-N-(ethoxyoxoacetyl)-N-(4-nitrophen yl)-, dimethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Aspartic acid, 3-[(1,1-dimethylethyl)carbonimidoyl]-N-(ethoxyoxoacetyl)-N-(4-nitrophen yl)-, dimethyl ester(830347-96-1)
• EPA Substance Registry System: Aspartic acid, 3-[(1,1-dimethylethyl)carbonimidoyl]-N-(ethoxyoxoacetyl)-N-(4-nitrophen yl)-, dimethyl ester(830347-96-1)

Safety Data

• Hazardous Substances Data: 830347-96-1(Hazardous Substances Data)

Upstream product

• 119072-55-8 tert-butylisonitrile 
• 5416-11-5 ethyl N-(4-nitrophenyl)oxamate 
• 762-42-5 dimethyl acetylenedicarboxylate 

Downstream Products

• 1140588-60-8 dimethyl 2-[(tert-butylamino)carbonyl]-3-[(2-ethoxy-2-oxoacetyl)-4-nitroanilino]succinate 

Relevant articles and documents

Regioselective hydrolysis of ketenimines derived from NH-acids and acetylenic esters in the presence of tert-butyl isocyanide under neutral conditions

The regioselective hydrolysis of ketenimines derived from NH-acids, such as 2,2,2-trichloro-N-phenylacetamide or ethyl-2-anilino-2-oxoacetates and acetylenic esters in the presence of tert-butyl isocyanide in a THF/H 2O system (1/1) without any catalysis leads to a diastereomeric mixture of dialkyl 2-[(tert-butylamino)carbonyl]-3-[(2,2,2-trichloroacetyl) anilino]succinates and dialkyl 2-[(tert-butylamino)carbonyl]-3-[2-ethoxy-2- oxoacetyl)anilino]-succinates in good yields. Dynamic NMR effects were observed in the 13C NMR spectra of diethyl 2-[(tert-butylamino)carbonyl]-3- [(2,2,2-trichloroacetyl)anilino]succinate as a result of restricted rotation around the N-aryl single bond. The free energy of activation (ΔG #) for this process is 37.9∈kJ∈mol-1 which leads to an observable atropisomerism.