80083-14-3

Basic information

• Product Name: Hydrazinecarbothioamide, 2-(2,2-dimethoxy-1-methylethylidene)-
• Synonyms: Hydrazinecarbothioamide, 2-(2,2-dimethoxy-1-methylethylidene)-;2-(2,2-Dimethoxy-1-Methylethylidene)Hydrazinecarbothioamide
• CAS NO: 80083-14-3
• Molecular Formula: C6H13N3O2S
• Molecular Weight: 191.25132
• Mol File: 80083-14-3.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 263.115°C at 760 mmHg
• Flash Point: 112.928°C
• Appearance: /
• Density: 1.239g/cm³
• Vapor Pressure: 0.01mmHg at 25°C
• Refractive Index: 1.531
• PKA: 11.86±0.70(Predicted)
• CAS DataBase Reference: Hydrazinecarbothioamide, 2-(2,2-dimethoxy-1-methylethylidene)-(CAS DataBase Reference)
• NIST Chemistry Reference: Hydrazinecarbothioamide, 2-(2,2-dimethoxy-1-methylethylidene)-(80083-14-3)
• EPA Substance Registry System: Hydrazinecarbothioamide, 2-(2,2-dimethoxy-1-methylethylidene)-(80083-14-3)

Safety Data

• Hazardous Substances Data: 80083-14-3(Hazardous Substances Data)

Usage

InChI:InChI=1/C6H13N3O2S/c1-4(5(10-2)11-3)8-9-6(7)12/h5H,1-3H3,(H3,7,9,12)/b8-4+

Upstream product

• 6342-56-9 Pyruvic aldehyde dimethyl acetal 
• 79-19-6 thiosemicarbazide 

Relevant articles and documents

Mixed bis(thiosemicarbazone) ligands for the preparation of copper radiopharmaceuticals: Synthesis and evaluation of tetradentate ligands containing two dissimilar thiosemicarbazone functions

A series of four 'mixed' bis(thiosemicarbazone) keto aldehyde derivatives containing dissimilar thiosemicarbazone functions were synthesized and evaluated as ligands for preparation of radiocopper-labeled radiopharmaceuticals. The pyruvaldehyde-based mixed bis(thiosemicarbazone) ligands CH3C[=NNHC(S)NH2]CH[=NNHC(S)NHMe] (4a), CH3C[=NNHC(S)NHMe]- CH[=NNHC(S)NH2] (4b), CH3C[=NNHC(S)NH2]CH[=NNHC(S)NMe2] (4c), and CH3C[=NNHC-(S)NHMe]CH[=NNHC(S)NMe2] (4d) were obtained by reaction of thiosemicarbazide, N4-methylthiosemicarbazide, or N4,N4- dimethylthiosemicarbazide with pyruvaldehyde 2-thiosemicarbazones that had been generated by oxidative cleavage of the appropriate pyruvic aldehyde dimethyl acetal 2-thiosemicarbazone. The 67Cu-labeled complexes of ligands 4a-d were prepared and screened in a rat model to assess the potential of each chelate as a 62Cu radiopharmaceutical for imaging with positron emission tomography. In the rat model the 67Cu complexes of ligands 4a-d exhibit significant uptake into the brain and heart after intravenous injection, following trends similar to those previously reported for the related bis(thiosemicarbazone) complexes, Cu-PTS, Cu-PTSM, and Cu-PTSM2 (derived from pyruvaldehyde bis(thiosemicarbazone), pyruvaldehyde bis(N4- methylthiosemicarbazone), and pyruvaldehyde bis(N4,N4- dimethylthiosemicarbazone), respectively). Ultrafiltration studies using solutions of dog and human serum albumin reveal that the 67Cu complexes of ligands 4a-d, like the Cu(II) complex of pyruvaldehyde bis(N4- methylthiosemicarbazone), interact more strongly with human albumin than dog albumin.

Synthesis and the Crystal Structure of 4-(2-Deoxy-β-D-erythro-pentofuranosyl)-6-methyl-1,2,4-triazin-3(4H)-one 1-Oxide, a Structural Analogue of Thymidine

Condensation of pyruvaldehyde dimethyl acetal with thiosemicarbazide, followed by methylation and cyclization, gave 3-(methylthio)-6-methyl-1,2,4-triazine, which was converted to 6-methyl-1,2,4-triazin-3(4H)-one 1-oxide by treatment with sodium methoxide and by selective oxidation and hydrolysis.Following silylation, this intermediate was condensed with blocked 2-deoxyribofuranosyl chloride, providing the anomeric nucleoside mixture, which was separated and deblocked to furnish the title compound.X-ray analysis of this nucleoside was carried out to confirm its structure and to study its conformation.