521309-35-3

Upstream product

• 474433-25-5 4-(2,4-dichlorophenyl)-3-mercapto-5-[(1-tricyclo[3.3.3.1.1^3,7]decane)]-4(H)-1,2,4-triazole 
• 521309-34-2 [5-adamantan-1-yl-4-(2,4-dichloro-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid ethyl ester 

Relevant academic research and scientific papers

Structural characteristics of some mercaptoacetic acid hydrazides

NMR and molecular modeling were used to analyze the conformational states of a series of mercaptoacetic acid hydrazides. A chemical exchange phenomenon was observed in the phase-sensitive NOESY spectrum of all derivatives in both CDCl3 and DMSO-d6 solvents. Chemical shifts, temperature and solvent dependence as well as MonteCarlo conformational search suggest that two rotamers exist around the amide bond in solution in a slow, for the NMR time scale, interconversion at room temperature. The trans conformer is predominant in CDCl3 and seems to be stabilized by the presence of hydrophobic interactions between the two aliphatic ends of the molecule. The relative population of the cis conformer increases tenfold in DMSO-d6 stabilized through the formation of hydrogen bonds.