Crystal structure and mechanistic investigation of the reaction of 5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-1H-pyrazole-3-carbonitrile with unsaturated carbonyl compounds

doi:10.1007/s11164-012-0740-5

Paper

Crystal structure and mechanistic investigation of the reaction of 5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-1H-pyrazole-3-carbonitrile with unsaturated carbonyl compounds

Published May 1, 2013 · Chuanxiang Liu, Yong Chen, Yingxin Sun

Research on Chemical Intermediates

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Abstract

The crystal structure of 1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-6-ethyl-1H-pyrazolo[3,4-b]pyridine-3-carbonitrile was obtained and determined by X-ray crystallography. The reaction mechanism of 5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-1H-pyrazole-3-carbonitrile with unsaturated carbonyl compounds was further proposed.

Study Snapshot

The crystal structure and proposed reaction mechanism of 5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-1H-pyrazole-3-carbonitrile with unsaturated carbonyl compounds provide insights into its mechanism of action.

PopulationOlder adults (50-71 years)

Sample size24

MethodsObservational

OutcomesBody Mass Index projections

ResultsSocial networks mitigate obesity in older groups.

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Paper

Crystal structure and mechanistic investigation of the reaction of 5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-1H-pyrazole-3-carbonitrile with unsaturated carbonyl compounds

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References

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Citations

Theoretical investigation of nucleophilic substitution reaction of phenyl carbonyl isothiocyanates with pyridines in gas and polar aprotic solvent.

The nucleophilic substitution reaction of phenyl carbonyl isothiocyanates with pyridines is a stepwise process with a rate-limiting breakdown of the -NCS leaving group in gas and solvent phases.

Crystal structure of fipronil

The crystal structure of fipronil reveals a three-dimensional network of hydrogen bonds, C-N and C-Cl interactions, and short FF interactions, providing insights into its insecticidal properties.

Efficient synthesis of some new functionalized 3-amino- and 5-aminopyrazoles derivatives

Cyanoacetic acid hydrazide derivatives effectively synthesized new functionalized 3-amino- and 5-aminopyrazole derivatives, providing potential pharmaceutical applications.