(C10H6(NMe2)2H)(1-thiol-2-phenyl-1,2-dicarbadodecaborate(12)) | 146107-71-3

• 英文名称: (C10H6(NMe2)2H)(1-thiol-2-phenyl-1,2-dicarbadodecaborate(12))
• 英文别名: protonated proton sponge salt of the 1-thio-2-phenyl-1,2-carborane anion
• CAS: 146107-71-3
• 化学式: C₈H₁₆B₁₀S*C₁₄H₁₈N₂
• 分子量: 466.701
• InChiKey: ICZDYIUUENOFAG-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：
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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：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  1-HS-2-Ph-1,2-closo-C2B10H10 、 1,8-双二甲氨基萘 以 正己烷 为溶剂， 以82%的产率得到(C10H6(NMe2)2H)(1-thiol-2-phenyl-1,2-dicarbadodecaborate(12))
  参考文献：
  名称：

  Exo-π-bonding to an ortho-carborane hypercarbon atom: systematic icosahedral cage distortions reflected in the structures of the fluoro-, hydroxy- and amino-carboranes, 1-X-2-Ph-1,2-C₂B₁₀H₁₀ (X = F, OH or NH₂) and related anions

  摘要：

  对在第二个笼子超碳原子上具有π给体取代基（F、OH、O⁻、NH₂、NH⁻和CH₂⁻）的苯基邻羧烷衍生物的结构进行了核磁共振、X射线晶体学和计算研究。这些化合物的分子结构，特别是它们的笼C1-C2距离和π给体取代基（OH、NH₂、NH⁻和CH₂⁻）的取向，随着exo π-键合程度的变化表现出显著而系统的差异，这一变化与取代基的π给体特性相应。

  DOI：

  10.1039/b406422d

文献信息

• A pentuply-bridging thiocarbonyl group: x-ray crystal structure of a salt of the 1-thio-2-phenyl-1,2-dicarbadodecaborate (12) anion, [LH]+[S(Ph)C2B10H10]− (L = 1,8-N,N,N1,N1-tetramethylnaphthalene diamine)
  作者：Robert Coult、Mark A. Fox、Wendy R. Gill、Kenneth Wade、William Clegg

  DOI：10.1016/s0277-5387(00)80246-6

  日期：1992.1

  The carboranyl sulphide anion [1,2-S(Ph)C2B10H10]-, characterized as its salt [C10H6(NMe2)2H]+[S(Ph)C2B10H10]- (1), has been prepared from the carboranyl thiol and proton sponge and characterized by X-ray crystallography. The anion has a nido-shaped [PbCB10H10] residue in which the CB4 pentagonal face is capped by a mu5-thiocarbonyl unit [C-S distance 1.729(4) angstrom], attached by bonds of length C-C 1.835(5) angstrom [C(1) to C(2)], C-B 1.742(6), 1.695(5), 1.704(6) and 1.749(6) angstrom [C(1) to B(3), (4), (5) and (6)]. This slipped structure reflects delocalization of the anionic charge from the sulphur atom into the polyhedron, a delocalization supported by AM1 calculations and also reflected in B-11 chemical shift data which show a pronounced antipodal effect.