Synthesis, Crystal Structure and Bio-Activity of 1-Phenyl-3-(2-Hydroxyl-Phenyl)-5-(2,4-Chloro-Phenyl)-2-Pyrazoline

Yin Zhi Jiang; Ya Yi Shi; Da Wei Liang

doi:10.4028/www.scientific.net/AMR.648.27

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HomeAdvanced Materials ResearchAdvanced Materials Research Vol. 648Synthesis, Crystal Structure and Bio-Activity of...

Synthesis, Crystal Structure and Bio-Activity of 1-Phenyl-3-(2-Hydroxyl-Phenyl)-5-(2,4-Chloro-Phenyl)-2-Pyrazoline

Abstract:

The title compound 1-Phenyl-3-(2-Hydroxyl–Phenyl)-5-(2,4-Chloro-Phenyl)-2-pyrazoline（C21H16Cl2N2O,Mr=383.26） was prepared from chalcone and phenylhydrazine. It was characterized by IR spectra, NMR spectra, MS spectra and X-Ray. The following crystal data was given: space group Pbca, with a=8.9678(7), b=14.1785(11), c=28.603(2)Å, β=90.00°, V=3636.8(5)nm3, Z=8, Dc=1.400mg/m3, μ=0.369mm-1, F(000)=1584, R=0.0492 and wR=0.1175. Found that there exist intramolecular H-bonds and the structure was one-dimensional lattice molecular. The inhibitory effects on EcMetAPof the title compound was determined and its inhibition was 31.62%. Its molecular ﬁeld-based similarity analysis provided the necessary three-dimensional molecular ﬁeld properties of the title compound to inhibit EcMetAP activities, and found that the EcMetAP inhibit-activities could be increased by addition electron donating groups at position 1,2 and 4 of pyrazole ring.

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Advanced Materials Research (Volume 648)

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27-30

DOI:

https://doi.org/10.4028/www.scientific.net/AMR.648.27

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Online since:

January 2013

Authors:

Yin Zhi Jiang, Ya Yi Shi, Da Wei Liang

Keywords:

Bio-Activity, Crystal Structure, Prazoline, Synthesis

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