(3Z,5Z)-4,5-二苯基-3,6-二(对甲苯磺酰基)-3,5-辛二烯的合成及其晶体结构

Synthesis and Crystal Structure of (3Z,5Z)-4,5-Diphenyl-3 ,6-Bis(Tosyl)Octa-3,5-Diene

通过CuI催化的二乙基锌与炔基砜的alpha-加成-偶联反应合成了标题化合物(3Z,5Z)-4,5-二苯基-3,6-二(对甲苯磺酰基)-3,5-辛二烯.化合物经1H NMR,13C NMR,IR,HRMS表征,化合物的结构经X-射线单晶衍射分析确证.晶体属三斜晶系,空间群P-1,晶胞参数:a=10.1113(12),b=10.1656(12),c=16.0942(19),α=83.3590(10),β=72.5550(10),γ=73.0650(10)°,V=1509.0(3)3,Z=2,Dc=1.256g/cm3,μ=0.213 mm-1,F(000)=604,结构偏离因子R1=0.0564,wR2=0.1671,共收集到10810个独立衍射点,其中I>2σ(I)的可观测点为4260个.

The title compound（3Z,5Z）-4,5-diphenyl-3,6-bis（tosyl）octa-3,5-diene was synthesized by CuI-catalyzed tandem alpha-addition-homocoupling reaction of acetylenic sulfone and diethylzinc.The title compound was characterized by1H NMR,13C NMR,IR,HRMS and single-crystal X-ray diffraction analysis.The crystal belongs to triclinic system,space group P-1 with a=10.1113（12）,b=10.1656（12）,c=16.0942（19）,α=83.3590（10）,β=72.5550（10）,γ=73.0650（10）°,V=1509.0（3）3,Z=2,Dc=1.256 g/cm3,μ=0.213 mm-1,F（000）=604,the final R1=0.0564 and wR2=0.1671,a total of 10810 reflections were collected,of which 4260 observed reflections with I〉2σ（I） were observed.