119224-91-8

Basic information

• Product Name: 1H-Pyrazole-4-carbothioicacid,3-ethoxy-,O-ethylester(9CI)
• Synonyms: 1H-Pyrazole-4-carbothioicacid,3-ethoxy-,O-ethylester(9CI)
• CAS NO: 119224-91-8
• Molecular Formula: C8H12N2O2S
• Molecular Weight: 200.26
• Product Categories: ETHOXY
• Mol File: 119224-91-8.mol
• Article Data: 1

Chemical Properties

• Melting Point: 109-113 °C
• Boiling Point: 352.7±52.0 °C(Predicted)
• Appearance: /
• Density: 1.222±0.06 g/cm3(Predicted)
• PKA: 10.16±0.50(Predicted)
• CAS DataBase Reference: 1H-Pyrazole-4-carbothioicacid,3-ethoxy-,O-ethylester(9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: 1H-Pyrazole-4-carbothioicacid,3-ethoxy-,O-ethylester(9CI)(119224-91-8)
• EPA Substance Registry System: 1H-Pyrazole-4-carbothioicacid,3-ethoxy-,O-ethylester(9CI)(119224-91-8)

Safety Data

• Hazardous Substances Data: 119224-91-8(Hazardous Substances Data)

Upstream product

• 16516-18-0 Dithionmalonsaeure-O,O-diethylester 
• 119253-52-0 2-(Dimethylaminomethylen)-dithiomalonsaeure-O,O-diethylester 

Relevant articles and documents

Thiono and Dithio Esters, 41. - Reaction of Dithiono Malonic Esters with Electrophiles

Dithiono malonic esters 1 react with alkali alkoxides to form the stable alkali salts 2.According to an X-ray analysis for the N,N,N',N'-tetramethylformamidinium salt 18 their anions adopt a trans,s-trans configuration in the crystalline state.By NOE experiments the same configuration is confirmed for solutions (DMSO or D2O).Alkylation of 2, however, gives rise to the Z-configurated thiono acrylic esters 4.By oxidation of 1a with tert.-butyl hypochlorite or iodine the 1,2-dithiolium salts 5 and 7 were obtained.The reaction of 1a with N,N-dimethyl formamidediethylacetal (8) in ethanol leads to the formation of the dimethylaminomethylene compound 12, in ether the formamidinium salt 18 precipitates.The latter decomposes to N,N-dimethylformamide 20 and the thiono acrylic ester 21.