4-Bromobenzoic triphenylacetic anhydride

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: 4-Bromobenzoic triphenylacetic anhydride
• 英文别名: (2,2,2-Triphenylacetyl) 4-bromobenzoate
• 化学式: C₂₇H₁₉BrO₃
• 分子量: 471.35
• InChiKey: BVTGBDWUEHQXFO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7
• 重原子数：
  31
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-溴苯甲酸 在 吡啶 、 五氯化磷 作用下， 以 苯 为溶剂， 反应 0.33h， 生成 4-Bromobenzoic triphenylacetic anhydride
  参考文献：
  名称：

  Mixed anhydrides: physical properties influenced by molecular structure

  摘要：

  A series of mixed anhydrides has been prepared and characterized. The reduction potentials and the electronic absorption spectra show an interesting systematic variation which is dependent on the steric requirements of the substituents. X-ray structural results are consistent with theoretical calculations that predict structural variations which are also dependent on the size of the substituent at the anhydride terminus. Taken together, these data show that the relative molecular orbital energies, as influenced by the relative dihedral angle of the two anhydride carbonyl groups, are responsible for the observed changes in physical properties.

  DOI：

  10.1021/jo00060a032

文献信息

• Mixed anhydrides: physical properties influenced by molecular structure
  作者：John H. Penn、Walter H. Owens、Jeffrey L. Petersen、Harry O. Finklea、Daniel A. Snider

  DOI：10.1021/jo00060a032

  日期：1993.4

  A series of mixed anhydrides has been prepared and characterized. The reduction potentials and the electronic absorption spectra show an interesting systematic variation which is dependent on the steric requirements of the substituents. X-ray structural results are consistent with theoretical calculations that predict structural variations which are also dependent on the size of the substituent at the anhydride terminus. Taken together, these data show that the relative molecular orbital energies, as influenced by the relative dihedral angle of the two anhydride carbonyl groups, are responsible for the observed changes in physical properties.