undecahydro-2-NMe3-1-carba-closo-dodecaborate | 115857-28-8

• 英文名称: undecahydro-2-NMe3-1-carba-closo-dodecaborate
• CAS: 115857-28-8
• 化学式: C₄H₂₀B₁₁N
• 分子量: 201.13
• InChiKey: XWGSAUWHVQSVMJ-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：

  trimethylammonum carba-nido-undecaborate 、 dichlorodimethylaminoborane 、 硫酸二甲酯 在 n-butyl lithium 作用下， 以 四氢呋喃 为溶剂， 以35.5%的产率得到undecahydro-2-NMe3-1-carba-closo-dodecaborate
  参考文献：
  名称：

  2-Substituted icosahedral monocarbon carboranes. Part 1. Synthesis via boron insertion

  摘要：

  New 2-substituted icosahedral monocarbon carboranes have been synthesised by functionalised boron insertion. The compounds [NBu(n)4] [2-Ph-closo-1-CB11H11] 1, [PPh4] [2-(p-MeC6H4)-closo-1-CB11H11] 2, [N(CHPh)Me3][2-F-closo-1-CB11H11] 3, 2-Me3N-closo-1-CB11H11 4 and [PPh4][2-Cl(CH2)4O-closo-1-CB11H11] 5 were characterised by H-1, B-11 and B-11-B-11 correlation NMR spectroscopy. The crystal structure of 5 shows a cage distortion that is postulated to result from pi interaction of the substituent with the cluster. Crystal data: triclinic, space group P1BAR, a = 10.672(2), b = 11.047(2), c = 14.203(3) angstrom, alpha = 75.97(2), beta = 87.84(2), gamma = 83.22(2)-degrees, Z = 2. Final R = 0.042 for 3951 reflections with I > 2sigma(I).

  DOI：

  10.1039/dt9930000135

文献信息

• Some electrophilic substitution reactions of closo-[1-CB11H12]− and one-boron insertion into nido-7-L-7-CB10H12 (L = H− or Me3N) compounds. Isolation of all three B-substituted closo-Me3N-1-CB11H11 derivatives
  作者：Tomáš Jelínek、Jaromír Plešek、František Mareš、Stanislav Heřmánek、Bohumil Štíbr

  DOI：10.1016/s0277-5387(00)84535-0

  日期：1987.1