115012-02-7

Basic information

• Product Name: Carbamic acid, (4,5-dihydro-1-methyl-4-oxo-1H-imidazol-2-yl)-, methyl ester (9CI)
• Synonyms: Carbamic acid, (4,5-dihydro-1-methyl-4-oxo-1H-imidazol-2-yl)-, methyl ester (9CI)
• CAS NO: 115012-02-7
• Molecular Formula: C6H9N3O3
• Molecular Weight: 171.15
• Mol File: 115012-02-7.mol

Chemical Properties

• Melting Point: 132-133 °C(Solv: ethyl acetate (141-78-6); ethyl ether (60-29-7))
• Appearance: /
• Density: 1.42±0.1 g/cm3(Predicted)
• PKA: 7.12±0.20(Predicted)
• CAS DataBase Reference: Carbamic acid, (4,5-dihydro-1-methyl-4-oxo-1H-imidazol-2-yl)-, methyl ester (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: Carbamic acid, (4,5-dihydro-1-methyl-4-oxo-1H-imidazol-2-yl)-, methyl ester (9CI)(115012-02-7)
• EPA Substance Registry System: Carbamic acid, (4,5-dihydro-1-methyl-4-oxo-1H-imidazol-2-yl)-, methyl ester (9CI)(115012-02-7)

Safety Data

• Hazardous Substances Data: 115012-02-7(Hazardous Substances Data)

Upstream product

• 60-27-5 Creatinine 

Relevant articles and documents

2-Amino-1-methyl-1H-imidazole-4,5-dione: Synthesis and the Dimroth Type Rearrangement to Creatone (2-Methyl-amino-1H-imidazole-4,5-dione)

Treatment of creatinine with BOC-ON gave 2-t-butoxycarbonylamino-1-methyl-1,5-dihydro-4H-imidazol-4-one, which was oxidized with mercury(II) acetate to the corresponding 1H-imidazole-4,5-dione.Deprotection of the amino group of this dione afforded the title compound 4, which in turns was shown to undergo a facile, Dimroth-type rearrangement under weakly acidic conditions to give creatone, thus proving 4 to be the key intermediate in the formation of creatone from various starting materials.The equilibria among these compounds are discussed.