| 142042-20-4

• CAS: 142042-20-4
• 化学式: C₁₂H₄₆B₂₈Si₂
• 分子量: 549.376
• InChiKey: QTUSVGFVUYSRAX-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

• 作为产物：
  描述：

  1,2-Dicarbadodecaborane(12), 1-(bromomethyl)- 、 1,10-((CH3)2SiCl)2-1,10-C2H8B8 在 magnesium 作用下， 以 四氢呋喃 为溶剂， 以51%的产率得到
  参考文献：
  名称：

  A silyl carborane containing the closo-1,10-C2B8H8 fragment

  摘要：

  When 1,10-(Si(CH3)2Cl)2-closo-1, 10-C2B8H8 was reacted with 2 equiv of 1-CH3-2-MgBr-closo-1,2-C2B10H10, 1,10-(1'-Si(CH3)2-2'-CH3-closo-1',2'-C2B10H10) 2-closo-1,10-C2B8H8 (1) was isolated in 51% yield. The molecular structure of 1 was determined by single-crystal X-ray diffraction techniques. Compound 1 crystallized in the monoclinic space group P2(1)/c: a = 13.1739 (9), b = 7.24 2 (5), and c = 18.886 (1) angstrom; beta = 107.905 (2)-degrees; V = 1714 angstrom3; and Z = 2 (two centrosymmetric molecules, achieved by disordering the C2B8 moiety). Data were collected on a Huber diffractometer constructed at UCLA, using Mo K-alpha radiation, to a maximum 2-theta = 50-degrees, giving 3028 unique reflections. The structure was solved by direct methods (SHELX86). The final discrepancy index was R = 0.074, R(w) = 0.097 for 2022 independent reflections with I > 3-sigma(I).

  DOI：

  10.1021/om00043a072