91025-37-5

Basic information

• Product Name: 1H-Imidazole-4-carboxylic acid, 1,2-dihydro-3-(phenylmethyl)-2-thioxo-, ethyl ester
• Synonyms: ethyl 1-benzyl-2,3-dihydro-2-thioxo-5-imidazole-carboxylate
• CAS NO: 91025-37-5
• Molecular Formula: C13H14N2O2S
• Molecular Weight: 262.332
• Mol File: 91025-37-5.mol
• Article Data: 2

Chemical Properties

• Melting Point: 122 °C(Solv: ligroine (8032-32-4); ethyl acetate (141-78-6))
• Boiling Point: 385.2±52.0 °C(Predicted)
• Density: 1.29±0.1 g/cm3(Predicted)
• CAS DataBase Reference: 1H-Imidazole-4-carboxylic acid, 1,2-dihydro-3-(phenylmethyl)-2-thioxo-, ethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 1H-Imidazole-4-carboxylic acid, 1,2-dihydro-3-(phenylmethyl)-2-thioxo-, ethyl ester(91025-37-5)
• EPA Substance Registry System: 1H-Imidazole-4-carboxylic acid, 1,2-dihydro-3-(phenylmethyl)-2-thioxo-, ethyl ester(91025-37-5)

Safety Data

• Hazardous Substances Data: 91025-37-5(Hazardous Substances Data)

Upstream product

• 1609282-78-1 1-benzyl-2-(methylthio)-5-imidazolcarbonitrile 
• 287198-16-7 3-benzyl-2-(methylsulfanyl)-3,5-dihydro-4H-imidazol-4-one 
• 39123-65-4 3-benzyl-2-thioxotetrahydro-4H-imidazol-4-one 
• 100-44-7 benzyl chloride 
• 1399859-85-8 N-benzyl-N'-(2'-acetamido)thiourea 
• 501428-67-7 2-(benzyl-formyl-amino)-3-oxo-propionic acid ethyl ester 
• 333-20-0 potassium thioacyanate 
• 6436-90-4 ethyl 2-(benzylamino)acetate 

Downstream Products

• 76075-21-3 ethyl 1-benzyl-1H-imidazole-5-carboxylic acid 
• 82830-36-2 1-Benzyl-5-(chloromethyl)-1H-imidazolium chloride 
• 80304-50-3 1-benzyl-5-hydroxymethylimidazole 

Relevant articles and documents

Preparation of 2'-13c-l-histidine starting from 13c-thiocyanate: Synthetic access to any site-directed stable isotope enriched l-histidine

1-Benzyl-2-(methylthio)-imidazole-5-ketone is obtained in a few simple steps starting from thiocyanate and glycine amide (glycin). Subsequent treatment with diethyl phosphorocyanidate and functional group manipulations gives 1-benzyl-5-chloromethylimidazolium chloride. This compound is converted under mild O'Donnell conditions into the corresponding L-histidine derivative. After deprotection L-histidine is obtained in good yield and 99% enantiomeric excess. 2'-13C-L-Histidine has been obtained via this new scheme with high (99%) 13C incorporation starting with commercially available 13C- thiocyanate. This synthetic scheme allows access to any isotopomer of L-histidine and many other biologically important imidazole derivatives.