478016-03-4

Basic information

• Product Name: Isoxazole, 3-ethyl-5-(isothiocyanatomethyl)- (9CI)
• Synonyms: Isoxazole, 3-ethyl-5-(isothiocyanatomethyl)- (9CI)
• CAS NO: 478016-03-4
• Molecular Formula: C7H8N2OS
• Molecular Weight: 168.21622
• Product Categories: OXAZOLE
• Mol File: 478016-03-4.mol

Chemical Properties

• Appearance: /
• CAS DataBase Reference: Isoxazole, 3-ethyl-5-(isothiocyanatomethyl)- (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: Isoxazole, 3-ethyl-5-(isothiocyanatomethyl)- (9CI)(478016-03-4)
• EPA Substance Registry System: Isoxazole, 3-ethyl-5-(isothiocyanatomethyl)- (9CI)(478016-03-4)

Safety Data

• Hazardous Substances Data: 478016-03-4(Hazardous Substances Data)

Upstream product

• 64988-69-8 3-ethyl-5-isoxazolylmethyl chloride 

Relevant articles and documents

TRIAZOLE PYRIDYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR

Compounds of Formula I and Formula II, pharmaceutically acceptable salt thereof, stereoisomers of any of the foregoing, or mixtures thereof are agonists of the APJ Receptor and may have use in treating cardiovascular and other conditions. Compounds of Formula I and Formula II have the structures where the definitions of the variables are provided herein.

Synthesis and properties of 3-alkyl(aryl)-5-chloromethylisoxazoles

3-Chloro-2-isothiocyanato-1-propenyl alkyl(aryl) ketones react with hydroxylamine hydrochloride to give 3-alkyl(aryl)-5-chloromethylisoxazole. Treatment of the latter with dimethylamine and ammonium thiocyanate leads to formation of previously unknown 3-alkyl(aryl)-5-dimethylamino(or isothiocyanato)-methylisoxazoles.