4-(4-(2-(ethoxycarbonyl)vinyl)cinnamoylamino)benzoic acid | 178237-85-9

• 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: 4-(4-(2-(ethoxycarbonyl)vinyl)cinnamoylamino)benzoic acid
• 英文别名: 4-[[(E)-3-[4-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]amino]benzoic acid
• CAS: 178237-85-9
• 化学式: C₂₁H₁₉NO₅
• 分子量: 365.386
• InChiKey: GJQNZWKRGFUHHS-FNCQTZNRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  27
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  92.7
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-(4-(2-(ethoxycarbonyl)vinyl)cinnamoylamino)benzoic acid 以 水 为溶剂， 反应 1.0h， 生成
  参考文献：
  名称：

  Photoreactive Crystals: Photodimerization of a Diolefinic Derivative Accompanied by Isomerization

  摘要：

  The novel photoreactive crystal, 4-(4-(2-(ethoxycarbonyl)vinyl)-cinnamoylamino)benzoic acid, (ECAB) was prepared and its photoreactivity evaluated. By introducing an amide group into a p-phenylenediacrylic acid derivative, a "tape" structure network was constructed. On irradiation the crystals were converted into dimers quantitatively. Characterization of the dimer and the results of X-ray crystallographic analysis showed that photodimerization proceeds with selective cycloaddition of olefinic bonds on the "amide side" only and accompanied by trans-cis isomerization of an olefinic bond on the "ester side".

  DOI：

  10.1080/10587250108023682
• 作为产物：
  描述：

  p-phenylenediacrylic acid chloride monoethyl ester 、 对氨基苯甲酸 生成 4-(4-(2-(ethoxycarbonyl)vinyl)cinnamoylamino)benzoic acid
  参考文献：
  名称：

  Photoreactive Crystals: Photodimerization of a Diolefinic Derivative Accompanied by Isomerization

  摘要：

  The novel photoreactive crystal, 4-(4-(2-(ethoxycarbonyl)vinyl)-cinnamoylamino)benzoic acid, (ECAB) was prepared and its photoreactivity evaluated. By introducing an amide group into a p-phenylenediacrylic acid derivative, a "tape" structure network was constructed. On irradiation the crystals were converted into dimers quantitatively. Characterization of the dimer and the results of X-ray crystallographic analysis showed that photodimerization proceeds with selective cycloaddition of olefinic bonds on the "amide side" only and accompanied by trans-cis isomerization of an olefinic bond on the "ester side".

  DOI：

  10.1080/10587250108023682

文献信息

• Photoreactive Crystals: Photodimerization of a Diolefinic Derivative Accompanied by Isomerization
  作者：Fusae Nakanishi、Kazumasa Honda、Masaru Yoshida、Neil Feeder

  DOI：10.1080/10587250108023682

  日期：2001.2.1

  The novel photoreactive crystal, 4-(4-(2-(ethoxycarbonyl)vinyl)-cinnamoylamino)benzoic acid, (ECAB) was prepared and its photoreactivity evaluated. By introducing an amide group into a p-phenylenediacrylic acid derivative, a "tape" structure network was constructed. On irradiation the crystals were converted into dimers quantitatively. Characterization of the dimer and the results of X-ray crystallographic analysis showed that photodimerization proceeds with selective cycloaddition of olefinic bonds on the "amide side" only and accompanied by trans-cis isomerization of an olefinic bond on the "ester side".