1,3,4,6,8,9-hexaethyl-2,7-bis(diethylboryl)-5-stannaspiro[4.4]nona-1,3,6,8-tetraene | 135952-83-9

• 分子结构分类: 有机化合物 - 碳氢化合物
• 英文名称: 1,3,4,6,8,9-hexaethyl-2,7-bis(diethylboryl)-5-stannaspiro[4.4]nona-1,3,6,8-tetraene
• CAS: 135952-83-9
• 化学式: C₂₈H₅₀B₂Sn
• 分子量: 527.037
• InChiKey: JRECGGUICMRADO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.41
• 重原子数：
  31.0
• 可旋转键数：
  12.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  1,3,4,6,8,9-hexaethyl-2,7-bis(diethylboryl)-5-stannaspiro[4.4]nona-1,3,6,8-tetraene 、 三溴化硼 以 正己烷 为溶剂， 以98%的产率得到2,3,4,5-tetraethyl-1,6-dibromo-2,3,4,5-tetracarba-nido-hexaborane⁽⁶⁾
  参考文献：
  名称：

  Synthesis of 1,6-dihalogeno-2,3,4,5-tetracarba-nido-hexaborane(6) derivatives

  摘要：

  1,4,6,9-Tetraalkyl-3,8-diethyl-2,7-bis(diethylboryl[4.4]mona-1,3,6,8-tetraenes (alkyl = Pt (2a), Pr (2b), Pr-i (2c), ''Bu (2d)) react with four equivalents of boron tribromide to give 2,3,4,5-tetraalkyl-1,6-dibromo-2,3,4,5-tetracarba-nido-hexaboranes(6) (3a-d) in high yield. By monitoring the progress of the reactions using C-13 NMR spectroscopy, 2,5-diboryl-substituted 3-borolenes (10) were identified as intermediates that rearrange to the carboranes via elimination of ethylboron dibromide. Treatment of 2 with boron triiodide affords the analogous 1,6-diodo-substituted carboranes 4. The reaction of 2 with an excess of boron trichloride proceeds rather slowly, again with a 3-borolene (9) as intermediate, and leads finally to a mixture of the carboranes 5 and 6 as a result of elimination of EtBCl(2) or BCl3. Treatment of 2 with BF3 leads to decomposition without any defined products. The carboranes 3 react stepwise with Li[Et(3)BH] to give first the monohydride with a B(6)-H bond (17) and the dihydride with B(6)-H and B(1)-H bonds (18).

  DOI：

  10.1016/0022-328x(95)05619-z
• 作为产物：
  描述：

  、 三乙基硼 以 甲苯 为溶剂， 以78%的产率得到1,3,4,6,8,9-hexaethyl-2,7-bis(diethylboryl)-5-stannaspiro[4.4]nona-1,3,6,8-tetraene
  参考文献：
  名称：

  Wrackmeyer, Bernd; Kehr, Gerald; Boese, Roland, Angewandte Chemie, 1991, vol. 103, p. 1374 - 1376

  摘要：

  DOI：

文献信息

• Wrackmeyer, Bernd; Kehr, Gerald; Sebald, Angelika, Chemische Berichte, 1992, vol. 125, # 7, p. 1597 - 1604
  作者：Wrackmeyer, Bernd、Kehr, Gerald、Sebald, Angelika、Kuemmerlen, Joerg

  DOI：——

  日期：——