Synthesis and Crystal Structure of 2-tert-Butyl-5-(4-tert-butylbenzylthio)-4-chloropyridazin-3(2H)-one

Chemical Research in Chinese Universities ›› 2006, Vol. 22 ›› Issue (6): 763-764.doi:

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Synthesis and Crystal Structure of 2-tert-Butyl-5-(4-tert-butylbenzylthio)-4-chloropyridazin-3(2H)-one

XU Liang-zhong*, YU Guan-ping, XU Zhong-jie, ZHANG Gong-sheng and ZHAI Zhi-wei

College of Chemistry and Molecular Engineering, Qingdao University of Science and Technology, Qingdao 266042, P. R. China

Received:2005-10-19 Revised:1900-01-01 Online:2006-11-25 Published:2006-11-25
Contact: XU Liang-zhong E-mail:qknhs@yahoo.com.cn

Abstract

Abstract: The title compound, 2-tert-buty-5(4-tert-butylbenzylthio)-4-chloropyridazin-3(2H)-one, was synthesized from 1-tert-butylhydrazine, (Z)-2,3-dichloro-3-formylacrylic acid and (4-tert-butylphenyl)methanethiol in several steps. It crystallized in an orthorhombic space group Pnma with M_r=364.93(C₁₉H₂₅ClN₂OS), a=1.0091(2) nm, b=0.7076(2) nm, c=2.8103(5) nm, V=2.0066(6) nm³, Z=4, D_c=1.192 g/cm³, F(000)=765, μ=0.301 mm^-1, final R₁=0.0665, and wR=0.1913 for 1927 unique reflections. Inter- and intramolecular hydrogen bond C―H…O interactions stabilize the structure.

Key words: Pyridaben, Synthesis, Crystal structure

XU Liang-zhong, YU Guan-ping, XU Zhong-jie, ZHANG Gong-sheng , ZHAI Zhi-wei. Synthesis and Crystal Structure of 2-tert-Butyl-5-(4-tert-butylbenzylthio)-4-chloropyridazin-3(2H)-one[J]. Chemical Research in Chinese Universities, 2006, 22(6): 763-764.

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Synthesis and Crystal Structure of 2-tert-Butyl-5-(4-tert-butylbenzylthio)-4-chloropyridazin-3(2H)-one

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