SYNTHESIS AND MOLECULAR STRUCTURE OF METHYL 1-BENZYL-6-PHENYLPIPERIDIN-2-ONE-5-CARBOXYLATE

• 作 者: Thomas C.W.Mak Russell Kwok
• 机 构: Department of Chemistry,The Chinese University of Hang Kong, Shatin,New Territories, Hong Kong,The W
• 出 处: 结构化学
• 发表日期: 1989年03期
• 关键词: chair monoclinic flotation conformation benzyl dimensions removed positions axia

C20H21NO3,Mr=323.39,monoclinic, space group P21, a= 7. 338(2), b=15. 419(3),c=7. 515(1)A,β=95.98(1)°,V= 845. 7(2)A3,Dm(flotation in aq. KL)=1.267,Dx(Z=2)=1.270gcm-3,λ(MoKα)=0.71069A,μ=0.08cm-1,F(000)=344,T=295°K,final RF=0. 042 for 1651 observed reflections. The title compound was synthesized and established as the trans isomer, with the phenyl and carbomethoxy substituents occupying pseudo-axial and axial positions, respectively, of the piperidin-2-one ring in a half-chair conformation.

A = 7.398 (2), b = 15.419 (3), c = 7.515 (1) A, β = 95.98 (1) °, V = 845. 7 (2) A3, Dm (flotation in aq. KL) = 1.267, Dx (Z = 2) = 1.270gcm-3, λ (MoKα) = 0.71069A, μ = = 344, T = 295 ° K, final RF = 0. 042 for 1651 observed reflections. The title compound was synthesized and established as the trans isomer, with the phenyl and carbomethoxy- concentrator occupying pseudo-axial and axial positions, respectively, of the piperidin-2-one ring in a half-chair conformation.