1027575-17-2

Basic information

• Product Name: 3-benzylsulfanyl-1-phenyl-5-phenyliminomethyleneamino-1H-pyrazole-4-carboxylic acid ethyl ester
• Synonyms: 3-benzylsulfanyl-1-phenyl-5-phenyliminomethyleneamino-1H-pyrazole-4-carboxylic acid ethyl ester
• CAS NO: 1027575-17-2
• Molecular Weight: 454.552
• Mol File: 1027575-17-2.mol
• Article Data: 4

Chemical Properties

• CAS DataBase Reference: 3-benzylsulfanyl-1-phenyl-5-phenyliminomethyleneamino-1H-pyrazole-4-carboxylic acid ethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 3-benzylsulfanyl-1-phenyl-5-phenyliminomethyleneamino-1H-pyrazole-4-carboxylic acid ethyl ester(1027575-17-2)
• EPA Substance Registry System: 3-benzylsulfanyl-1-phenyl-5-phenyliminomethyleneamino-1H-pyrazole-4-carboxylic acid ethyl ester(1027575-17-2)

Safety Data

• Hazardous Substances Data: 1027575-17-2(Hazardous Substances Data)

Upstream product

• 103-71-9 phenyl isocyanate 
• 740833-16-3 C₃₇H₃₂N₃O₂PS 

Downstream Products

• 1047643-00-4 5-amino-3-benzylthio-1-phenyl-6-phenylamino-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one 

Relevant articles and documents

A new regioselective synthesis and bioactivity of 1H-pyrazolo[3,4-d] pyrimidin-4(5H)-one derivatives

A series of new 1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one Derivatives 5 has been designed and regio-selectively synthesized via a tandem aza-Wittig reaction. The structures of all compounds prepared have been confirmed by 1H NMR, IR, EI-MS spectros

Synthesis and antifungal activities of novel 5-amino-6-arylamino-1H- pyrazolo[3,4-d]pyrimidin-4(5H)-one derivatives

A novel approach was developed to regioselectively synthesize new 5-amino-6-arylamino-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one 5 derivatives via a tandem aza-Wittig and annulation reactions of iminophosphorane 2, aromatic isocyanates, and hydrazine in 52-92% isolated yields. The compounds 5 reacted with triethyl orthoformate to give 1,8-2H-pyrazolo[3,4-d][1,2,4]triazolo[1,5-a] pyrimidin-4-ones 6 in good yields (62-94%). Their structures were clearly confirmed by spectroscopy data (IR, 1H NMR, MS), elemental analysis, or X-ray diffraction crystallography. The results of preliminary bioassay indicated that the compounds 5 and 6 possessed high antifungal activity against Botrytis cinerea Pers and Sclerotinia sclerotiorum. Compounds 5 showed much better antifungal activities when R was Me instead of PhCH2. Especially, compounds 6c, 6g, and 6i inhibited Sclerotinia by 100% at the concentration of 50 mg/L and by 83, 83, and 82% at the dosage of 10 mg/L, respectively.