(o-tert-butylphenyl)3GeBr | 1322732-27-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (o-tert-butylphenyl)3GeBr
• CAS: 1322732-27-3
• 化学式: C₃₀H₃₉BrGe
• 分子量: 552.134
• InChiKey: LOEGYMMQHZSPJF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.94
• 重原子数：
  32.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  (o-tert-butylphenyl)3GeBr 在 CuI 作用下， 以 乙醚 、 苯 为溶剂， 生成 (o-tert-butylphenyl)3GeCl
  参考文献：
  名称：

  Syntheses and structural analysis of the sterically encumbered germanes (o-ButC6H4)3GeX (X=Br, H, Cl, OH), (o-ButC6H4)2GeBr2, and Mes2GeH2: distortions arising from the presence of an ortho-tert-butyl substituent

  摘要：

  Four new ortho-tert-butylphenyl substituted germanes (o-(BuC6H4)-C-t)(3)GeX (X = Br (1), H (2), Cl (3), or OH (4)) have been prepared and structurally characterized. The structures of 1-4 have been obtained and the ortho-tert-butyl substituents were found to be oriented in the same direction as the Ge-X bond in each molecule. The presence of these bulky substituents results in distortions in 1-4 from the ideal tetrahedral geometry, which was assessed by an examination of the C-ipso-Ge-C-ipso-C-ortho torsion angles within these four compounds. The two diaryl-substituted germanes (o-(BuC6H4)-C-t)(2)GeBr2 (5) and Mes(2)GeH(2) (6) have also been prepared and structurally characterized, and the absence of a third sterically encumbering aryl group alleviates a significant amount of structural strain in these compounds versus their triaryl-substituted analogues. (C) 2011 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2011.05.012
• 作为产物：
  描述：

  溴化锗 、 1-溴-2-叔丁基苯 、 magnesium 在 I₂ 作用下， 以 四氢呋喃 为溶剂， 以40%的产率得到(o-tert-butylphenyl)3GeBr
  参考文献：
  名称：

  Syntheses and structural analysis of the sterically encumbered germanes (o-ButC6H4)3GeX (X=Br, H, Cl, OH), (o-ButC6H4)2GeBr2, and Mes2GeH2: distortions arising from the presence of an ortho-tert-butyl substituent

  摘要：

  Four new ortho-tert-butylphenyl substituted germanes (o-(BuC6H4)-C-t)(3)GeX (X = Br (1), H (2), Cl (3), or OH (4)) have been prepared and structurally characterized. The structures of 1-4 have been obtained and the ortho-tert-butyl substituents were found to be oriented in the same direction as the Ge-X bond in each molecule. The presence of these bulky substituents results in distortions in 1-4 from the ideal tetrahedral geometry, which was assessed by an examination of the C-ipso-Ge-C-ipso-C-ortho torsion angles within these four compounds. The two diaryl-substituted germanes (o-(BuC6H4)-C-t)(2)GeBr2 (5) and Mes(2)GeH(2) (6) have also been prepared and structurally characterized, and the absence of a third sterically encumbering aryl group alleviates a significant amount of structural strain in these compounds versus their triaryl-substituted analogues. (C) 2011 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2011.05.012