9-fluoro-m-carborane | 73050-37-0

• 英文名称: 9-fluoro-m-carborane
• CAS: 73050-37-0
• 化学式: C₂H₁₁B₁₀F
• 分子量: 162.218
• InChiKey: QHYKQWGPUWXXHN-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 、 9-fluoro-m-carborane 以 四氢呋喃 为溶剂， 生成 (Bu4N)(nido-6-F-7,9-C2B9H11) 、 (Bu4N)(nido-1-F-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：

  1,7-dicarba-closo-dodecaborane(12) 、 五氟化锑 以 further solvent(s) 为溶剂， 以75%的产率得到9-fluoro-m-carborane
  参考文献：
  名称：

  的选择性氟化ö 0和米-carboranes。9-单氟-，9,12-二氟-1,8,9,12-三氟和8,9,10,12-四氟-邻碳氢化合物和9-单氟-和9,10-二氟的合成-米-carboranes。8,9,10,12-四氟-邻-碳硼烷的分子结构

  摘要：

  的反应ø -和米-carboranes 1与置换氢五氟化锑的结果通过在氟硼原子，以得到连续9-氟; 9,12-二氟-; 8,9,12-三氟-; 8,9,10,12-四氟邻氨基甲酸酯和9-氟-; 9,10-二氟米-carboranes。已经对8,9,10,12-四氟-邻-碳硼烷进行了X射线结构研究。合成的化合物已通过元素分析和1 H，11 B { 1 H}，19 F NMR光谱进行了表征。

  DOI：

  10.1016/0022-328x(90)85001-f

文献信息

• Grushin, Vladimir V.; Demkina, Iraida I.; Tolstaya, Tat'yana P., Inorganic Chemistry, 1991, vol. 30, # 25, p. 4860 - 4863
  作者：Grushin, Vladimir V.、Demkina, Iraida I.、Tolstaya, Tat'yana P.

  DOI：——

  日期：——
• Haskell, H. V.; Lipscomb, W. N., Journal of the American Chemical Society, 1969, vol. 91, p. 771 - 772
  作者：Haskell, H. V.、Lipscomb, W. N.

  DOI：——

  日期：——
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: B: B-Verb.11, 2.2.2, page 8 - 13
  作者：

  DOI：——

  日期：——
• Grushin, Vladimir V.; Demkina, Iraida I.; Tolstaya, Tat'yana P., Inorganic Chemistry, 1991, vol. 30, # 8, p. 1760 - 1765
  作者：Grushin, Vladimir V.、Demkina, Iraida I.、Tolstaya, Tat'yana P.

  DOI：——

  日期：——
• Formation of the m-carborane cation with a positively charged boron atom upon the action of SbF5 on m-carborane
  作者：V. N. Lebedev、V. I. Bakhmutov、M. V. Galakhov、E. V. Balagurova、L. I. Zakharkin

  DOI：10.1007/bf00961959

  日期：1988.6