| 210971-91-8

• 分子结构分类: 有机化合物 - 木脂素、新木脂素和相关化合物
• CAS: 210971-91-8
• 化学式: C₂₇H₂₅N₃NiO₃
• 分子量: 499.197
• InChiKey: AXOAXZULMRICBL-OJLSWCGESA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  碘甲烷 、 在 KOH 、 citric acid 作用下， 以 further solvent(s) 为溶剂， 以71%的产率得到Ni(II)-complex of the Schiff base of (S)-N-(2-benzoylphenyl)-1-benzylpyrrolidine-2-carboxamide and (15)N-2-aminoisobutyric acid
  参考文献：
  名称：

  Two new Ni(II) Schiff base complexes: X-ray absolute structure determination, synthesis of a 15N-labelled complex and full assignment of its 1H NMR and 13C NMR spectra

  摘要：

  The Ni(II) complex of the Schiff base of (S)-N-(2-benzoyl-4-chlorophenyl)-1-benzylpyrrolidine-2-carboxamide and glycine (1) [GKCI] and the hemihydrate of the Ni(II) complex of the Schiff base of (S)-N-(2-benzoylphenyl)-1-benzylpyrrolidine-2-carboxamide and 2-aminoisobutiric acid (2) Me(2)GK] were prepared and their absolute structures determined. The conformations of the complexes and their hydrogen bonding are discussed in detail. In complex 2, the repulsion between the benzyl group and an equatorial methyl group should affect the conformation of the benzyl group, distribution of the pi-electron density in this group and distortion of the internal coordination sphere, while for complex 1, only minor conformational changes were expected. H-1 and C-13 NMR data for the N-15-labelled complex 2 were acquired and fully assigned in order to study the influence of pi-electron density of the benzyl group to the long-range C-13-N-15 and C-13-C-13 spin-spin interactions. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2006.09.103
• 作为产物：
  描述：

  N-(2-苯甲酰基苯基)-1-苄基-2-吡咯烷羧酰胺 、 甘氨酸-15N 、 nickel(II) acetate tetrahydrate 在 CH₃ONa 、 citric acid 作用下， 以 甲醇 为溶剂， 以83%的产率得到
  参考文献：
  名称：

  Popkov; Nadvornik; Iirman, Russian Journal of General Chemistry, 1998, vol. 68, # 8, p. 1242 - 1245

  摘要：

  DOI：