dicyanomethylene-2,4-dimethylbenzophenone | 89482-97-3

• 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: dicyanomethylene-2,4-dimethylbenzophenone
• 英文别名: [(2,4-Dimethylphenyl)(phenyl)methylidene]propanedinitrile；2-[(2,4-dimethylphenyl)-phenylmethylidene]propanedinitrile
• CAS: 89482-97-3
• 化学式: C₁₈H₁₄N₂
• 分子量: 258.323
• InChiKey: QYCWPOLBNNDWDY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  47.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2,4-二甲基二苯甲酮 、 丙二腈 在 乙酸铵 作用下， 以 溶剂黄146 、 乙酸乙酯 为溶剂， 反应 4.0h， 生成 dicyanomethylene-2,4-dimethylbenzophenone
  参考文献：
  名称：

  Mass spectra of dicyanomethylene derivatives of benzophenone analogs

  摘要：

  AbstractThe dicyanomethylene derivative of a benzophenone analog significantly alters the fragmentation pattern observed during electron impact ionization of the underivatized parent compound. A double bond connecting the dicyanomethylene moiety to the parent compound is cleaved during a major fragmentation pathway for many of these compounds. A mechanism involving rearrangement of two hydrogen atoms is proposed to rationalize cleavage of this double bond. Conventional mass spectra as well as collisionally activated dissociation mass spectra of selected ions of several model compounds are reported and described in support of a proposed fragmentation mechanism.

  DOI：

  10.1002/oms.1210181102

文献信息

• Mass spectra of dicyanomethylene derivatives of benzophenone analogs
  作者：Ching-Bore Wang、Guor-Rong Her、J. Throck Watson

  DOI：10.1002/oms.1210181102

  日期：1983.11

  AbstractThe dicyanomethylene derivative of a benzophenone analog significantly alters the fragmentation pattern observed during electron impact ionization of the underivatized parent compound. A double bond connecting the dicyanomethylene moiety to the parent compound is cleaved during a major fragmentation pathway for many of these compounds. A mechanism involving rearrangement of two hydrogen atoms is proposed to rationalize cleavage of this double bond. Conventional mass spectra as well as collisionally activated dissociation mass spectra of selected ions of several model compounds are reported and described in support of a proposed fragmentation mechanism.