| 82378-32-3

• CAS: 82378-32-3
• 化学式: C₉H₁₈B₁₀
• 分子量: 234.352
• InChiKey: QWYDMVWCTWELHP-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：

  tetra-n-butylammoniumfluoride trihydrate 、 以 四氢呋喃 为溶剂， 生成 (Bu4N)(nido-6-(4-MeC6H4)-7,9-C2B9H11) 、 (Bu4N)(nido-1-(4-MeC6H4)-7,9-C2B9H11)
  参考文献：
  名称：

  Deboronation of 9-substituted-ortho- and -meta-carboranes

  摘要：

  A systematic study has been carried out of deboronation reactions of a series of icosahedral carborane derivatives bearing a variety of substituents on selected (generally antipodal) boron atoms. Reactions of the 9-substituted meta-carboranes, 9-R-1,7-C2B10H11 (R = OH, 4-MeC6H4, F, Cl, Br, I), with tetrabutylammonium fluoride hydrate (TBAFH) in refluxing THF gave nido-carborane salts containing a mixture of 1- and 6-R-7,9-C(2)B(9)H(<(11)over bar>) nido-anions. Regioselective deboronation occurred with the 9-halo-meta-carboranes, 9-X-1,7-C2B10H11 (X = F, Cl, Br, I), producing a 2:1 ratio mixture of nido 6-X-7,9-C(2)B(9)H(<(11)over bar>) and 1-X-7,9-C(2)B(9)H(<(11)over bar>). Calculated Mulliken charges at B2 and B3 of some 9-substituted-meta carboranes show that these vary in line with observed deboronation rates and product ratios in their reactions with TBAFH. The ortho-carborane derivative 9-I-1,2-C2B10H11 and TBAFH gave the tetrabutylammonium salt of the nido anion 5(6)-I-7,8-C(2)B(9)H(<(11)over bar>). The mercurated and thallated meta carboranes, 9-M-1,7-C2B9H11 (M = HgOCOCF3 and Tl(OCOCF3)(2)), with TBAFH underwent boron-metal bond cleavage to yield mainly the nido anion 7,9-C(2)B(9)H(<(12)over bar>). Multinuclear (B-11, C-13, H-1, F-19) NMR spectra of the carboranes have been recorded and assigned. (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-328x(98)00881-x
• 作为产物：
  描述：

  9-iodo-1,7-dicarba-closo-dodecaborane 、 对甲苯基溴化镁 在 ((C₆H₅)3P)2PdCl₂ or ((C₆H₅)3P)4Pd 作用下， 以 乙醚 为溶剂， 以73%的产率得到
  参考文献：
  名称：

  B-有机取代的1,2-，1,7-和1,12-二碳环十二碳二烯碳硼烷的合成（12）

  摘要：

  提出了一种用于合成的方便的新方法9-有机取代的ø -和米-carboranes和2-有机取代p通过碘的9-碘取代-carborane ø - ，9-碘米- ， -在催化量的钯膦配合物存在下，由有机镁化合物中的有机基团生成2-碘-对-氨基甲酸酯。硼卤素碳硼烷中的卤素首次被有机基团取代。

  DOI：

  10.1016/s0022-328x(00)83405-1