69298-45-9

Basic information

• Product Name: 3-aminomethyl-4-<3-(o-chlorobenzoyl)-5-ethylthiophen-2-yl>-5-methyl-4H-1,2,4-triazole hydrochloride
• CAS NO: 69298-45-9
• Molecular Weight: 397.328
• Mol File: 69298-45-9.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 3-aminomethyl-4-<3-(o-chlorobenzoyl)-5-ethylthiophen-2-yl>-5-methyl-4H-1,2,4-triazole hydrochloride(CAS DataBase Reference)
• NIST Chemistry Reference: 3-aminomethyl-4-<3-(o-chlorobenzoyl)-5-ethylthiophen-2-yl>-5-methyl-4H-1,2,4-triazole hydrochloride(69298-45-9)
• EPA Substance Registry System: 3-aminomethyl-4-<3-(o-chlorobenzoyl)-5-ethylthiophen-2-yl>-5-methyl-4H-1,2,4-triazole hydrochloride(69298-45-9)

Safety Data

• Hazardous Substances Data: 69298-45-9(Hazardous Substances Data)

Upstream product

• 40054-69-1 etizolam 

Downstream Products

• 140632-75-3 [2-(3-Aminomethyl-5-methyl-[1,2,4]triazol-4-yl)-5-ethyl-thiophen-3-yl]-(2-chloro-phenyl)-methanol 

Relevant articles and documents

Atropisomerism in 4-(2-thienyl)-4H-1,2,4-triazole derivatives

3-Aminomethyl-4-[3-(o-chlorobenzoyl)-5-ethylthiophen-2-yl]-5-methyl-4H- 1,2,4-triazole (I), the hydrolytically ring-opened derivative of etizolam, which is one of the 1,4-diazepine antianxiety drugs, was investigated from the stereochemical point of view. In order to isolate atropisomers of compound I, its carbonyl group was reduced to a chiral secondary alcohol. The resulting compounds were resolved successfully into two components (IIa and IIb) bv silica-gel column chromatography. The structures of atropisomeric IIa and IIb, possessing rotational differences about the single bond between the thiophene and triazole rings, were confirmed by X-ray crystallographic analysis. The interconversion behavior between them was also examined.