1416057-65-2

Basic information

• Product Name: 3-[3-ethyl-5-(6-phenylpyridin-3-yl)-4H-1,2,4-triazol-4-yl]-2-methylbenzoic acid
• CAS NO: 1416057-65-2
• Molecular Weight: 384.437
• Mol File: 1416057-65-2.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 3-[3-ethyl-5-(6-phenylpyridin-3-yl)-4H-1,2,4-triazol-4-yl]-2-methylbenzoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 3-[3-ethyl-5-(6-phenylpyridin-3-yl)-4H-1,2,4-triazol-4-yl]-2-methylbenzoic acid(1416057-65-2)
• EPA Substance Registry System: 3-[3-ethyl-5-(6-phenylpyridin-3-yl)-4H-1,2,4-triazol-4-yl]-2-methylbenzoic acid(1416057-65-2)

Safety Data

• Hazardous Substances Data: 1416057-65-2(Hazardous Substances Data)

Upstream product

• 29051-44-3 6-phenylpyridine-3-carboxylic acid 
• 257876-10-1 6-phenylnicotinoyl chloride 
• 1416057-64-1 methyl 3-[3-ethyl-5-(6-phenylpyridin-3-yl)-4H-1,2,4-triazol-4-yl]-2-methylbenzoate 
• 1416057-63-0 methyl 3-{[hydrazino(6-phenylpyridin-3-yl)methylene]amino}-2-methylbenzoate 
• 1416057-62-9 methyl 2-methyl-3-{[(6-phenylpyridin-3-yl)carbonyl]amino}benzoate 

Relevant articles and documents

Practical and efficient synthesis of the (R)-atropisomer of a 4-phenyl 1,2,4-triazole derivative as a selective GlyT1 inhibitor

Herein we describe a novel and efficient method for synthesizing the (R)-atropisomer of 3-[3-ethyl-5-(6-phenylpyridin-3-yl)-4H-1,2,4-triazol-4-yl]-2- methylbenzonitrile 1, a novel GlyT1 inhibitor. The diastereomeric salt formation of 3-[3-ethyl-5-(6-phenylpyridin-3-yl)-4H-1,2,4-triazol-4-yl]-2-methylbenzoic acid 7 with (1R,2S)-(-)-2-amino-1,2-diphenylethanol afforded the desired (R)-atropisomer. We also report the determination of the absolute configuration of (R)-7 by powder X-ray diffraction.