1-(4-fluorophenyl)-1,7-dicarbadodecaborane(12) | 23842-04-8

• 英文名称: 1-(4-fluorophenyl)-1,7-dicarbadodecaborane(12)
• 英文别名: 1-(4'-F-C6H4)-1,7-C2HB10H10
• CAS: 23842-04-8
• 化学式: C₈H₁₅B₁₀F
• 分子量: 238.316
• InChiKey: WRCZEZKJTVSKPN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为反应物：
  描述：

  1-(4-fluorophenyl)-1,7-dicarbadodecaborane(12) 、 氯 在 过氧化苯甲酰 作用下， 以 四氯化碳 为溶剂， 生成 p-C6H4F-1.7-C2B10Cl10H
  参考文献：
  名称：

  Zakharkin, L. I.; Kalinin, V. N.; Kvasov, B. A., Zhurnal Obshchei Khimii, 1972, vol. 42, p. 829 - 831

  摘要：

  DOI：
• 作为产物：
  描述：

  1,7-dicarba-closo-dodecaborane(12) 、 对氟碘苯 以42%的产率得到1-(4-fluorophenyl)-1,7-dicarbadodecaborane(12)
  参考文献：
  名称：

  Fluoride-ion deboronation of p-fluorophenyl-ortho- and -meta-carboranes. NMR evidence for the new fluoroborate, HOBHF2−

  摘要：

  The reactions of 1-(4-fluorophenyl)-1,2-dicarbadodecaborane(12) 1 and 1-(4-fluorophenyl)-1,7-dicarbadodecaborane(12) 2 with tetrabutylammonium fluoride hydrate in tetrahydrofuran or acetonitrile have been monitored by F-19 and B-11 NMR. No carborane intermediates were observed prior to formation of the nido-anions 7-(4-FC6H4)-7,8-C2B9H11- 3 and 7-(4-FC6H4)-7,9-C2B9H11- 4 which each required two molecular proportions of fluoride and, by inference, one of water for complete reaction. The spectra of the initial anionic monoboron product of both reactions showed it to be the new fluoroborate HOBHF2- 5. The B-attached hydrogen atom of the fluoroborate 5 is derived from the starting carborane, since it was retained when Bu4NF.(D2O)(n) was used, but the nido-anions 3 and 4 bonded deuterium at the open face in this experiment. The H-1, B-11, F-19 and C-13 NMR spectra of carboranes 1-4 have been recorded and assigned. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0277-5387(96)00556-6

文献信息

• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: B: B-Verb.12, 5.1.1, page 155 - 187
  作者：

  DOI：——

  日期：——
• Kovredov, A. I.; Shaugumbekova, Zh. S.; Kazantsev, V. A., Journal of general chemistry of the USSR, 1986, vol. 56, p. 2045 - 2049
  作者：Kovredov, A. I.、Shaugumbekova, Zh. S.、Kazantsev, V. A.、Zakharkin, L. I.

  DOI：——

  日期：——