1,1,4,4-tetraethyl-2,3-dicarboxylate-5-phenyl-1,4-digermacyclohexa-2,5-diene | 860801-97-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: 1,1,4,4-tetraethyl-2,3-dicarboxylate-5-phenyl-1,4-digermacyclohexa-2,5-diene
• CAS: 860801-97-4
• 化学式: C₂₂H₃₂Ge₂O₄
• 分子量: 505.674
• InChiKey: FNTWHABXWRRHEP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.86
• 重原子数：
  28.0
• 可旋转键数：
  7.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  52.6
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  苯乙炔 在 4-ethyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane 、 [Pd(dibenzylidenacetone)2] 、 Na 作用下， 以 甲苯 为溶剂， 生成 1,1,4,4-tetraethyl-2,3-dicarboxylate-5-phenyl-1,4-digermacyclohexa-2,5-diene
  参考文献：
  名称：

  Preparation, structural characterization of 1,2-digermacyclobut-3-enes, and their palladium-catalyzed insertion of alkynes

  摘要：

  1.2-Diaermacyclobut-3-enes were prepared by the treatment of Z-alpha,beta-bis(chlorodialkylgermyl)ethenes with Na metal in boiling toluene and their structures were fully established by spectroscopic methods coupled with X-ray crystallography. In the presence of an appropriate catalyst, 1,2-digermacyclobut-3-enes reacted smoothly with alkynes to give the corresponding insertion products, 1,4-digermacyclohexa-2,5-dienes in moderate to good yields. Conventional complexes, such as [Pd(PPh3)(4)] and [Pt(PPh3)(4)], serve as efficient catalysts. The mechanism of the insertion reaction of alkynes into the germanium-germanium bond of 1.2-digermacyclobut-3-enes is discussed in terms of a key intermediate, a 1,4-digerma-2-buten-1,4-diylpalladium. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2005.03.022