1112937-23-1

Basic information

• Product Name: 4-(4-chlorophenylthio)-6-ethyl-5-fluoropyriMidine
• Synonyms: 4-(4-chlorophenylthio)-6-ethyl-5-fluoropyriMidine
• CAS NO: 1112937-23-1
• Molecular Formula: C₁₂H₁₀ClFN₂S
• Molecular Weight: 268.7376032
• Mol File: 1112937-23-1.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 370.5±42.0 °C(Predicted)
• Appearance: /
• Density: 1.35±0.1 g/cm3(Predicted)
• PKA: 0.46±0.37(Predicted)
• CAS DataBase Reference: 4-(4-chlorophenylthio)-6-ethyl-5-fluoropyriMidine(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(4-chlorophenylthio)-6-ethyl-5-fluoropyriMidine(1112937-23-1)
• EPA Substance Registry System: 4-(4-chlorophenylthio)-6-ethyl-5-fluoropyriMidine(1112937-23-1)

Safety Data

• Hazardous Substances Data: 1112937-23-1(Hazardous Substances Data)

Upstream product

• 106-54-7 p-Chlorothiophenol 
• 137234-74-3 4-chloro-6-ethyl-5-fluoropyrimidine 

Downstream Products

• 1112937-26-4 4-(1-bromo-ethyl)-6-(4-chloro-phenylsulfanyl)-5-fluoropyrimidine 

Relevant articles and documents

PROCESS FOR PREPARING VORICONAZOLE

Optically pure voriconazole can be prepared in a high yield by a) subjecting 1-(2,4-difluorophenyl)-2(1H-1,2,4-triazol-1-yl)ethanone to Reformatsky-type coupling reaction with a substituted thiopyrimidine derivative to obtain a desired (2R,3S)/(2S,3R)-enantiomeric pair; b) removing the thiol derivative from the enantiomer to obtain racemic voriconazole; and c) isolating the racemic voriconazole by way of optical resolution using an optically active acid.