2-(4'-bromophenyl)-3-benzoyl-4-phenyl-1-oxa-4-azabutadiene | 57736-15-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: 2-(4'-bromophenyl)-3-benzoyl-4-phenyl-1-oxa-4-azabutadiene
• 英文别名: Propane-1,3-dione, 1-(4-bromophenyl)-2-(phenylimino)-3-phenyl-；1-(4-bromophenyl)-3-phenyl-2-phenyliminopropane-1,3-dione
• CAS: 57736-15-9
• 化学式: C₂₁H₁₄BrNO₂
• 分子量: 392.252
• InChiKey: QPPXOJFNQSXZQX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  46.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1-(4-溴苯基)-3-苯基丙烷-1,3-二酮 、 亚硝基苯 在 base 作用下， 生成 2-(4'-bromophenyl)-3-benzoyl-4-phenyl-1-oxa-4-azabutadiene
  参考文献：
  名称：

  Conjugated Schiff's bases 16—Substituent effect on electron impact fragmentation of some 1-oxa-4-azabutadienes1

  摘要：

  AbstractThe electron impact fragmentation patterns of some 1‐oxa‐4‐azabutadienes have been determined and supported by the corresponding metastables. The effect of substituents on this fragmentation has been investigated. Satisfactory correlation of intensity ratios of the peaks characterizing the primary fragmentation versus the Brown and Okamoto σ+ substituent parameters has been found. The relationship between the substituent parameters and the dissociation energy ED,C(3)‐C(5), estimated with the help of appearance energies has been considered.

  DOI：

  10.1002/oms.1210190208

文献信息

• Conjugated Schiff's bases 16—Substituent effect on electron impact fragmentation of some 1-oxa-4-azabutadienes1
  作者：Janusz Moskal、Alexandra Moskal、Krzysztof Nagraba

  DOI：10.1002/oms.1210190208

  日期：1984.2

  AbstractThe electron impact fragmentation patterns of some 1‐oxa‐4‐azabutadienes have been determined and supported by the corresponding metastables. The effect of substituents on this fragmentation has been investigated. Satisfactory correlation of intensity ratios of the peaks characterizing the primary fragmentation versus the Brown and Okamoto σ+ substituent parameters has been found. The relationship between the substituent parameters and the dissociation energy ED,C(3)‐C(5), estimated with the help of appearance energies has been considered.