N-borabicyclo[3.3.1]nonyl-2(prop-(Z)-1-enyl-3'-dimethylstannyl)pyrrole | 191797-33-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: N-borabicyclo[3.3.1]nonyl-2(prop-(Z)-1-enyl-3'-dimethylstannyl)pyrrole
• CAS: 191797-33-8
• 化学式: C₁₇H₂₈BNSn
• 分子量: 375.937
• InChiKey: SBUKDRNXIZSPJA-MKIPXRPFSA-N

物化性质

• 沸点：
  445.2±55.0 °C(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.94
• 重原子数：
  20.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  4.93
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  7a-aza-7,7-dimethyl-6,7-dihydro-7-stanna-7aH-indene 、 9-硼双环[3.3.1]壬烷 以 四氢呋喃 为溶剂， 以100%的产率得到N-borabicyclo[3.3.1]nonyl-2(prop-(Z)-1-enyl-3'-dimethylstannyl)pyrrole
  参考文献：
  名称：

  Synthesis of novel heterocycles by the reaction of N,C-dilithio-2-allylpyrrole with electrophiles

  摘要：

  N,C,-dilithio-2-allylpyrrole (1) in THF reacts selectively with various element halides to give Z-isomers, and in the case of element dihalides (Me2SiCl2, Me2SnCl2, Cp2ZrCl2) or SiCl4 to give new heterobicycles [E = Si (7), Sn (8), Zr (12)] or the spirosilane 6. Treatment of 1 with triethoxyborane gives the heterobicyclic borate 9 which reacts with Me3SiCl to give the heterobicyclic ethoxyborane 10. The synthetic potiential of 8 is shown by its transformation to the heterobicyclic ethylborane 11. All compounds were characterized by multinuclear magnetic resonance, including the application of modified (Hahn-echo extended) polarization transfer pulse sequences for measurement of (1)J(Si-29,N-15), (1)J(Sn-119,N-15) and 2D C-13/H-1 heteronuclear shift correlations for the determination of signs of coupling constants (n)J(Sn-119,C-13) and (n+1)J(Sn-119, H-1).

  DOI：

  10.1016/s0022-328x(96)06733-2