12-iodoaza-closo-dodecaborane | 388079-76-3

• 英文名称: 12-iodoaza-closo-dodecaborane
• CAS: 388079-76-3
• 化学式: B₁₁H₁₁IN
• 分子量: 270.92
• InChiKey: SCQSDCQPXQILIW-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：
  None

反应信息

• 作为产物：
  描述：

  、 碘 在 triflic acid 作用下， 以 neat (no solvent) 为溶剂， 以40%的产率得到12-iodoaza-closo-dodecaborane
  参考文献：
  名称：

  Haloaza-closo-dodecaboranes

  摘要：

  The bromo- and iodoaza-closo-dodecaboranes HNB(11)H(10)Hal (Hal = Br, I). MeNB11H9Br2, and McNB(11)H(8)Br(3) are formed from [NB11H11](-) and MeNB11H11, respectively, by electrophilic halogenation with elementary halogen in the presence of acidic catalysts. Hydrogen in para- or in para- and meta-position with respect to the cluster-N atom is substituted by halogen. With iodine chloride as halogenation agent, all the 11 boron bound H atoms of MeNB11H11 are substituted to give HNB11Cl5I6, with iodine in the para- and meta- and chlorine in the ortho-positions, presumably via electrophilic (I) and nucleophilic substitution (Cl). The products are characterized by their NMR spectra, the product HNB11Cl5I6 also by crystal structure analysis.

  DOI：

  10.1002/1521-3749(200111)627:11<2477::aid-zaac2477>3.0.co;2-e