78514-85-9

Basic information

• Product Name: C₁₅H₁₅ClN₄O₂S
• Synonyms: C₁₅H₁₅ClN₄O₂S
• CAS NO: 78514-85-9
• Molecular Weight: 350.829
• Mol File: 78514-85-9.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: C₁₅H₁₅ClN₄O₂S(CAS DataBase Reference)
• NIST Chemistry Reference: C₁₅H₁₅ClN₄O₂S(78514-85-9)
• EPA Substance Registry System: C₁₅H₁₅ClN₄O₂S(78514-85-9)

Safety Data

• Hazardous Substances Data: 78514-85-9(Hazardous Substances Data)

Upstream product

• 67280-19-7 Isothiosemicarbazon 
• 94-05-3 ethyl (ethoxymethylene)cyanoacetate 

Downstream Products

• 78514-98-4 Ethyl 2-(o-Chlorophenyl)-5-(methylthio)<1,2,4>triazolo<1,5-c>pyrimidine-8-carboxylate 
• 873-32-5 2-Chlorobenzonitrile 
• 776-53-4 ethyl 4-amino-2-methylmercaptopyrimidine-5-carboxylate 

Relevant articles and documents

Cyclization of Isothiosemicarbazones. 5. Triazolopyrimidines

The 4--3-methylisothiosemicarbazones of aromatic aldehydes underwent cyclization upon being heated in 1-butanol, N,N-dimethylformamide, dioxane, or pyridine to give 2,5-disubstituted triazolopyrimidine-8-carboxylates in moderate yields.Competitive formation of ethyl 4-amino-2-(methylthio)pyrimidine-5-carboxylate occured in this cyclization with elimination of benzonitriles probably through a nonionic pathway.Treatment of the aromatic ketone analogues with hot acetic acid or pyridine gave 2,2,5-trisubstituted 2,3-dihydrotriazolopyrimidine-8-carboxylates by intramolecular cycloaddition.These compounds exist as a chain-ring tautomeric mixture in pyridine at elevated temperatures and gradually lose the substituents at the 2-position to give the same bicyclic pyrimidines as those from aldehyde isothiosemicarbazones.A mechanism was proposed in which the ring closure of the 2,3,5,9-tetraaza-1,3,6-nonatrien-8-yne systems may involve a ten-electron cyclic transition state.