(2-phenyl-ortho-carboranyl)2SO | 878540-78-4

• 英文名称: (2-phenyl-ortho-carboranyl)2SO
• 英文别名: (2-Ph-1,2-C2B10H10)2SO
• CAS: 878540-78-4
• 化学式: C₁₆H₃₀B₂₀OS
• 分子量: 486.7
• InChiKey: ZUZGJTVNCQKLGM-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：

  (2-phenyl-ortho-carboranyl)2SO 在 H₂ 、 10percent Pd on C 作用下， 以 溶剂黄146 为溶剂， 以66%的产率得到(2-phenyl-ortho-carboranyl)2S
  参考文献：
  名称：

  Preparative and structural studies on sulfur-linked carborane icosahedra: 2-Phenyl-ortho-carboranyl-sulfur systems (2-Ph-1,2-C2B10H10)2X (X=S, S2 or SO), and ortho-carboran-di-yl systems (1,2-C2B10H10Y)2 (Y=S or SO)

  摘要：

  Details are reported of the preparation and X-ray structural characterisation of the new compounds (PhCb degrees)(2)X, where PhCb degrees = 2-Ph-1,2-C2B10H10 and X = S (1) or SO (3), prepared from PhCb degrees Li and SCl2 or SOCl2 respectively, as well as the known compound with X = S-2 (2). Hydrogen in the presence of palladium/carbon reduced (3) to (1). Features of their structures (exo C-S and cage C-C distances and substituent orientations) are consistent with significant exo S=C dative pi-bonding from their sulfur atoms to the cage hypercarbon atoms and weak exo pi-bonding from the phenyl groups. Attempts to prepare systems (Cb degrees Y)(2), in which two ortho-carboran-di-yl residues Cb degrees are linked through two bridging units Y (S, SO) are also reported, as are their calculated structures. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2005.06.046
• 作为产物：
  描述：

  氯化亚砜 、 1-苯基-o-蒈硼烷 在 BuLi 作用下， 以 乙醚 、 正己烷 为溶剂， 以34%的产率得到(2-phenyl-ortho-carboranyl)2SO
  参考文献：
  名称：

  Preparative and structural studies on sulfur-linked carborane icosahedra: 2-Phenyl-ortho-carboranyl-sulfur systems (2-Ph-1,2-C2B10H10)2X (X=S, S2 or SO), and ortho-carboran-di-yl systems (1,2-C2B10H10Y)2 (Y=S or SO)

  摘要：

  Details are reported of the preparation and X-ray structural characterisation of the new compounds (PhCb degrees)(2)X, where PhCb degrees = 2-Ph-1,2-C2B10H10 and X = S (1) or SO (3), prepared from PhCb degrees Li and SCl2 or SOCl2 respectively, as well as the known compound with X = S-2 (2). Hydrogen in the presence of palladium/carbon reduced (3) to (1). Features of their structures (exo C-S and cage C-C distances and substituent orientations) are consistent with significant exo S=C dative pi-bonding from their sulfur atoms to the cage hypercarbon atoms and weak exo pi-bonding from the phenyl groups. Attempts to prepare systems (Cb degrees Y)(2), in which two ortho-carboran-di-yl residues Cb degrees are linked through two bridging units Y (S, SO) are also reported, as are their calculated structures. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2005.06.046