苯甲酸二苯乙酸酐 | 25327-58-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 苯甲酸二苯乙酸酐
• 英文名称: Benzoic diphenylacetic anhydride
• 英文别名: benzoic acid diphenylacetic acid-anhydride；Benzoesaeure-diphenylessigsaeure-anhydrid；(2,2-Diphenylacetyl) benzoate
• CAS: 25327-58-6
• 化学式: C₂₁H₁₆O₃
• 分子量: 316.356
• InChiKey: LUVBFCYBWKUSFY-UHFFFAOYSA-N

物化性质

• 沸点：
  481.6±45.0 °C(Predicted)
• 密度：
  1.191±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  苯甲酸二苯乙酸酐 、 苯肼 生成 diphenyl-acetic acid-(N'-phenyl-hydrazide) 、 苯甲酸
  参考文献：
  名称：

  Staudinger, Justus Liebigs Annalen der Chemie, 1907, vol. 356, p. 81

  摘要：

  DOI：
• 作为产物：
  描述：

  2,2-二苯基乙酸 、 苯甲酰氯 在 吡啶 作用下， 以 苯 为溶剂， 反应 20.0h， 以91.7%的产率得到苯甲酸二苯乙酸酐
  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

• The photochemistry of mixed anhydrides: a search for selectivity in photochemically initiated bond cleavage reactions
  作者：John H. Penn、Walter H. Owens

  DOI：10.1021/ja00054a012

  日期：1993.1

  A number of mixed anhydrides (RC(O)OC(O)R') have been synthesized for the purpose of exploring the regioselectivity of their photochemical reactions. The photochemical reaction products, quantum yields, and reaction rates have been determined. For those compounds containing no α-hydrogens, high regioselectivity is obtained upon irradiation and can be understood on the basis of the relative C-O bond

  为了探索其光化学反应的区域选择性，已经合成了许多混合酸酐（RC（O）OC（O）R'）。光化学反应产物、量子产率和反应速率已经确定。对于那些不含 α-氢的化合物，在辐照时可以获得高区域选择性，可以根据相对的 CO 键解离能来理解。反应可以通过分子内电子转移猝灭。对于含有α-氢原子的化合物，Norrish II型反应比相应的CO裂解反应快，导致区域选择性差
• Staudinger, Chemische Berichte, 1907, vol. 40, p. 1147
  作者：Staudinger

  DOI：——

  日期：——
• Staudinger, Justus Liebigs Annalen der Chemie, 1907, vol. 356, p. 81
  作者：Staudinger

  DOI：——

  日期：——
• 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.