Addition Reaction of Bis(diphenylphosphinyl) Butadiyne with Methylcyclopentadiene

作     者：YU Li-Zhi XU Ke-Xin MENG Ji-Ben HUANG Yao-Dong 

作者机构：Department of Pharmaceutical Engineering School of Chemical Engineering and Technology Tianjin University Tianjin 300072 China Department of Chemistry Nankai University Tianjin 300071 China 

出 版 物：《Chinese Journal of Structural Chemistry》 (结构化学（英文）)

年 卷 期：2007年第26卷第8期

页      面：939-944页

核心收录：

学科分类：081704[工学-应用化学] 07[理学] 08[工学] 0817[工学-化学工程与技术] 070303[理学-有机化学] 0703[理学-化学] 

基　　金：Sponsored by the Scientific Research Foundation for the Returned Overseas Chinese Scholars and the State Education Ministry 

主　　题：addition reaction crystal structure inclusion hydrogen bonding 

摘      要：Bis（diphenylphosphinyl）butadiyne reacted with methylcyclopentadiene at room temperature and four isomeric products were obtained. Crystal structures of isomers 1 and 3 have been determined. Crystal data for compound 1 C40H36O2P2·2CHCl3： monoclinic, space group C12/c1 with a = 17.983（2）, b = 11.8723（12）, c = 20.081（2） A, β = 111.218（3）°, V= 3996.5（8） A^3, Z = 4, Mr= 849.36, Dc = 1.412 g/cm^3, F（000） = 1752,μ = 0.546 mm^-1, the final R = 0.0351 and wR = 0.0951 for 3965 observed reflections （I 〉 2σ（I））; and those for compound 3 C40H36O2P2·H2O： triclinic, space group PI with a = 10.4144（15）, b = 13.0558（18）, c = 13.742（2） A, a = 70.453（8）, β = 75.382（8）, γ = 72.312（8）°, V = 1653.7（4） A^3, Z = 2, Mr= 628.64, Dc = 1.262 g/cm^3, F（000） = 664,μ = 0.169 mm^-1, the final R = 0.0593 and wR = 0.1296 for 4891 observed reflections （I 〉 2σ（I））. The structures of the other two isomers are identified via IR, ^1H NMR and MS spectra.