1,7-(Me2S)2-9-MeS-B12H9 | 1357619-46-5

• 英文名称: 1,7-(Me2S)2-9-MeS-B12H9
• CAS: 1357619-46-5
• 化学式: C₅H₂₄B₁₂S₃
• 分子量: 310.176
• InChiKey: PHBXFMXBFKTERC-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：

  1,7-(Me2S)2-9-MeS-B12H9 、 trimethoxonium tetrafluoroborate 以 二氯甲烷 为溶剂， 以78%的产率得到[1,7,9-(Me2S)3-B12H9]BF4
  参考文献：
  名称：

  Unusual Cationic Tris(Dimethylsulfide)-Substituted closo-Boranes: Preparation and Characterization of [1,7,9-(Me₂S)₃-B₁₂H₉] BF₄ and [1,2,10-(Me₂S)₃-B₁₀H₇] BF₄

  摘要：

  Rational syntheses of trisubstituted sulfur-bearing closoboranes are presented. In the development of these syntheses unusual cationic closo-boranes [1,7,9-(Me2S)(3)-B12H9] (3) and [1,2,10-(Me2S)(3)-B10H7](+) (4) have been identified. These were initially recognized to be intermediates in the formation of the neutral trisubstituted species 1,7-(Me2S)(2)-9-(MeS)-B12H9 (1) and 1,10-(Me2S)(2)-2-(MeS)-B10H7 (2), respectively. Stable tetrafluoroborate salts were prepared and isolated, and their structures are presented. They are believed to represent the first structural determinations of cationic borane clusters of any type.

  DOI：

  10.1021/ic2023709
• 作为产物：
  描述：

  1,7-(Me2S)2B12H10 、 二甲基亚砜 以 盐酸 、 溶剂黄146 为溶剂， 以67%的产率得到1,7-(Me2S)2-9-MeS-B12H9
  参考文献：
  名称：

  Unusual Cationic Tris(Dimethylsulfide)-Substituted closo-Boranes: Preparation and Characterization of [1,7,9-(Me₂S)₃-B₁₂H₉] BF₄ and [1,2,10-(Me₂S)₃-B₁₀H₇] BF₄

  摘要：

  Rational syntheses of trisubstituted sulfur-bearing closoboranes are presented. In the development of these syntheses unusual cationic closo-boranes [1,7,9-(Me2S)(3)-B12H9] (3) and [1,2,10-(Me2S)(3)-B10H7](+) (4) have been identified. These were initially recognized to be intermediates in the formation of the neutral trisubstituted species 1,7-(Me2S)(2)-9-(MeS)-B12H9 (1) and 1,10-(Me2S)(2)-2-(MeS)-B10H7 (2), respectively. Stable tetrafluoroborate salts were prepared and isolated, and their structures are presented. They are believed to represent the first structural determinations of cationic borane clusters of any type.

  DOI：

  10.1021/ic2023709