91397-05-6

Basic information

• Product Name: Thiocyanic acid, 2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl ester
• CAS NO: 91397-05-6
• Molecular Formula: C12H11N3OS
• Molecular Weight: 245.305
• Mol File: 91397-05-6.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: Thiocyanic acid, 2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Thiocyanic acid, 2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl ester(91397-05-6)
• EPA Substance Registry System: Thiocyanic acid, 2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl ester(91397-05-6)

Safety Data

• Hazardous Substances Data: 91397-05-6(Hazardous Substances Data)

Upstream product

• 60-80-0 antipyrine 
• 333-20-0 potassium thioacyanate 
• 540-72-7 sodium thiocyanide 

Downstream Products

• 102314-29-4 1,5,1',5'-tetramethyl-2,2'-diphenyl-1,2,1',2'-tetrahydro-4,4'-disulfanediyl-bis-pyrazol-3-one 

Relevant articles and documents

Metal-Free Direct C–H Thiolation and Thiocyanation of Pyrazolones

Metal-free approach for direct C–H thiolation and thiocyanation of N-substituted pyrazolones with disulfides and thiocyanate salts, respectively, are developed. These reactions allow the C–S bond coupling to proceed effectively under mild conditions, providing useful and convenient methods for preparation of a series of 4-thio-substituted pyrazolone analogues, which have potential applications in organic, medicinal and material chemistry. Preliminary mechanistic investigation suggested that radical processes are likely to involve in these transformations.