16943-22-9

Basic information

• Product Name: 3,6-Dimethyl-7H-[1,3]thiazol[3,2-b][1,2,4]triazin-7-one
• Synonyms: 3,6-Dimethyl-7H-[1,3]thiazol[3,2-b][1,2,4]triazin-7-one;3,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one
• CAS NO: 16943-22-9
• Molecular Formula: C7H7N3OS
• Molecular Weight: 181.218
• Mol File: 16943-22-9.mol
• Article Data: 7

Chemical Properties

• Melting Point: 227 °C(Solv: water (7732-18-5))
• Boiling Point: 282.4°Cat760mmHg
• Flash Point: 124.6°C
• Appearance: /
• Density: 1.53g/cm³
• Vapor Pressure: 0.00337mmHg at 25°C
• Refractive Index: 1.746
• PKA: -3.18±0.40(Predicted)
• CAS DataBase Reference: 3,6-Dimethyl-7H-[1,3]thiazol[3,2-b][1,2,4]triazin-7-one(CAS DataBase Reference)
• NIST Chemistry Reference: 3,6-Dimethyl-7H-[1,3]thiazol[3,2-b][1,2,4]triazin-7-one(16943-22-9)
• EPA Substance Registry System: 3,6-Dimethyl-7H-[1,3]thiazol[3,2-b][1,2,4]triazin-7-one(16943-22-9)

Safety Data

• Hazardous Substances Data: 16943-22-9(Hazardous Substances Data)

Usage

InChI:InChI=1/C7H7N3OS/c1-4-3-12-7-8-6(11)5(2)9-10(4)7/h3H,1-2H3

Upstream product

• 98022-67-4 3-amino-4-methyl-2-thiazolimine 
• 127-17-3 2-oxo-propionic acid 
• 90997-76-5 6-methyl-3-(propargylmercapto)-1,2,4-triazin-5(2H)-one 
• 7664-93-9 sulfuric acid 

Relevant articles and documents

Direction of isomerization of 5-hydroxy-3-propargylthio-1,2,4-triazines according to 1H/15N heteronuclear multiple bond correlation (HMBC) spectra

We have studied isomerization of 6-substituted 5-hydroxy-3-propargylthio-1, 2,4-triazines using base catalysis. We have used NMR correlation spectroscopy (1H/15N HMBC spectra) to prove the structure of the regioisomer formed. The typ

Regioselective acid-catalyzed cyclization reaction: Unique synthesis of condensed thiazoles and selenazole

The facile and regioselective synthesis of condensed thiazoles 7-11 and selenazole 12 has been performed by the catalytic action of H2SO4 On corresponding propynylthio 1-5 and propynylseleno 6 derivatives respectively.

Heteropoly acid catalyzed selective cyclization of 6-alkyl-3- propargylmercapto-1,2,4-triazin-5(2H)-one

Cyclization of 6-alkyl-3-propargylmercapto-1,2,4-triazin-5(2H)-one, derivatives (2) in the presence of Keggin heteropoly acids, H3PW 12O40, H3PMO12O40, H4SiW12O40 and lacunary Keggin structure (K 7PMO2W9O40) afforded 3 (3a = 6-dimethyl-7H-thiazolo[2,3-b][1,2,4]-triazin-7-one and 3b=6-ethyl-3-methyl-7H- thiazolo[2,3-b][1,2,4]-triazin-7-one) in high yields and short reaction times.

Ionic intermediates in the first stages of the reaction of 3,4-dihydro-6-methyl-3-thioxo-1,2,4-triazin-5(2H)-one with propargyl bromide

Tautomerism of 3,4-dihydro-6-methyl-3-thioxo-1,2,4-triazin-5(2H)-one and its anion were studied by 6-31G* nonempirical calculations. Of the 13 possible tautomers of the former in the gas phase the only stable is the 2H,4H-thione tautomer, and of the 6 possible tautomers of the anion the least energies are characteristic of the 2H- and 4H-thione ones. According to IR and UV spectral data, in methanol the 2H-thione tautomer of the anion is only stabilized. This tautomer enters substitution reaction with propargyl bromide to give an S-propargyl derivative whose anion is an intermediate of heterocylization reaction. The alkylation and heterocyclization reactions are probably orbital-controlled.