10-(Me3N)-nido-7,8,10-C3B8H10 | 177786-75-3

• 英文名称: 10-(Me3N)-nido-7,8,10-C3B8H10
• CAS: 177786-75-3
• 化学式: C₆H₁₉B₈N
• 分子量: 191.712
• InChiKey: RXWWWENUYRQYKM-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

• 作为反应物：
  描述：

  10-(Me3N)-nido-7,8,10-C3B8H10 在 sodium naphthalide 作用下， 以 四氢呋喃 为溶剂， 以94%的产率得到10-(Me2NH)-nido-7,8,10-C3B8H10
  参考文献：
  名称：

  十三碳三糖苷系列的高产且容易进行的簇重排。新的母体三碳硼烷[nido-7,8,10-C3B8H11]-和arachno-5,6,9-C3B7H13

  摘要：

  摘要两性离子7-（Me 3 N）-nido -7,8,9-C 3 B 8 H 10（1a）和[nido -7,8,9-C 3 B 8 H 11]的热重排-阴离子（2）在350°C时可得到高产率的同分三糖类物质10-（Me 3 N）-nido -7,8,10-C 3 B 8 H 10（3a）和[nido -7,8， 10-C 3 B 8 H 11]-（4），并且一个硼顶点在4中的氧化降解导致分离出第一个母体十-顶点三碳碳硼烷Arachno -5,6,9-C 3 B 7 H 13（5）。

  DOI：

  10.1016/0020-1693(96)05082-7
• 作为产物：
  描述：

  7-Me3N-nido-7,8,9-C3B8H10 以 neat (no solvent) 为溶剂， 以97%的产率得到10-(Me3N)-nido-7,8,10-C3B8H10
  参考文献：
  名称：

  Parent Tricarbollides [nido-7,8,9-C₃B₈H₁₁]^-, nido-7,8,9-C₃B₈H₁₂, [nido-7,8,10-C₃B₈H₁₁]^-, and Their Derivatives

  摘要：

  Deamination of 7-(Me3N)-nido-7,8,9-C3B8H10 (1a) leads either to the parent tricarbollide anion [nido-7,8,9-C3B8H11](-) (2(-)) or to the neutral tricarbaborane nido-7,8,9-C3B8H12 (2a), together with a small amount of 8-Me-nido-7,8,9-C3B8H11 (2b). Di- and trisubstituted derivatives of 2a, 7-((BuMeN)-Me-t)-10-Me-nido-7,8,9-C3B8H10 (2c), and 7-((BuMeN)-Me-t)-10,11-Me-2-nido-7,8,9-C3B8H9 (2d) were obtained as byproducts from the methylation of both 7-((BuNH2)-N-t)-nido-7,8,9-C3B8H10 (1b) and 7-((BuMeNH)-Me-t)-nido-7,8,9-C3B8H10 (1c) With MeI in THF under reflux. Heating of 1a and 2(-) at 350 degrees C resulted in the rearrangement of the carbons on the open-face to give high yields of the isomeric tricarbollides 10-(Me3N)-nido-7,8,10-C3B8H10 (3a) and [nido-7,8,10-C3B8H11](-) (4(-)), respectively, The structure of 3a was determined by an X-ray diffraction analysis, and the geometries of the parent compounds 2(-), 2a, and 4(-) were optimized at the ab initio MP2(fc)/6-31G* level. The structures of all compounds also were secured by the excellent agreement between the experimental data and the IGLO/NMR calculations of the B-11 chemical shifts for the parent compounds at the DZ//6-31G*, DZ//MP2/6-31G*, and II'//MP2/6-31G* levels.

  DOI：

  10.1021/ja971194u