trimethylboraazatrane | 147832-46-0

• 英文名称: trimethylboraazatrane
• CAS: 147832-46-0
• 化学式: C₉H₂₁BN₄
• 分子量: 196.104
• InChiKey: UWGXQGXFJNNULM-UHFFFAOYSA-N

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

• 作为产物：
  描述：

  三(二甲基氨基)硼烷 、 三[2-(甲基氨基)乙基]胺 在 ammonium sulfate 作用下， 以 四氢呋喃 为溶剂， 以37%的产率得到trimethylboraazatrane
  参考文献：
  名称：

  Group 13 azatranes: synthetic, conformational, and configurational features

  摘要：

  The monomeric azatranes E(RNCH2CH2)3N 7 (E = B, R = Me), 8 (E = B, R = SiMe3), and 9 (E = Al, R = SiMe3) can be synthesized from E(NMe2)3 and (HRNCH2CH2)3N in low yields (6-37%). The azatrane 10 (E = Al, R = Me), formed in 64% yield by the analogous reaction, is a stable dimer featuring a four-membered MeNAlNMeAl ring in which the aluminum is five-coordinate as shown by H-1, C-13, and Al-27 NMR spectroscopic techniques (including two-dimensional ones). Compound 7 can be made in 30% yield by reacting 10 with B(OMe)3. Compound 8, in contrast to 7 and 9, exists as rigid enantiomers that interconvert slowly at room temperature on the NMR time scale owing to steric repulsion of the Me3Si groups. VT H-1 and B-11 NMR studies provide evidence for a concerted (rather than a stepwise) racemization mechanism (DELTAH(double dagger), 61 +/- 5 kJ.mol-1; DELTAS(double dagger), -36 +/- 13 J.mol-1 K-1) involving a symmetric (C3v) transition state that retains the transannular bond.

  DOI：

  10.1021/ja00063a011