(E)-4-hydroxyzimtsaeurecyanmethylester | 173679-01-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: (E)-4-hydroxyzimtsaeurecyanmethylester
• 英文别名: cyanomethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
• CAS: 173679-01-1
• 化学式: C₁₁H₉NO₃
• 分子量: 203.197
• InChiKey: MQZBNIHCTZZJGO-ZZXKWVIFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  70.3
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (E)-4-hydroxyzimtsaeurecyanmethylester 在 肼 作用下， 以 氯仿 为溶剂， 以55%的产率得到(E)-4-Hydroxyzimtsaeurehydrazid
  参考文献：
  名称：

  3,6-Bis(2-arylethenyl)-1,2,4,5-tetrazine - Synthese, Fl�ssigkristallinit�t und Photochemie

  摘要：

  The (E,E)-3,6-Bis(2-arylethenyl)-1,2,4,5-tetrazines 8 were prepared in a synthetic sequence starting with aromatic aldehydes 1 and cinnamic acids 2, respectively (Scheme 1). The rod-like conjugated molecules represent calamitic mesogens as well as extended chromophores. Hence, we investigated the formation of liquid crystals, achieved by the introduction of long flexible side chains, and the photochemical behaviour that is characterized by the fragmentation of the central ring (Scheme 3).

  DOI：

  10.1002/prac.199533701137
• 作为产物：
  描述：

  4-香豆酸 、 氯乙腈 在 三乙胺 作用下， 以 乙酸乙酯 为溶剂， 反应 6.0h， 以74%的产率得到(E)-4-hydroxyzimtsaeurecyanmethylester
  参考文献：
  名称：

  3,6-Bis(2-arylethenyl)-1,2,4,5-tetrazine - Synthese, Fl�ssigkristallinit�t und Photochemie

  摘要：

  The (E,E)-3,6-Bis(2-arylethenyl)-1,2,4,5-tetrazines 8 were prepared in a synthetic sequence starting with aromatic aldehydes 1 and cinnamic acids 2, respectively (Scheme 1). The rod-like conjugated molecules represent calamitic mesogens as well as extended chromophores. Hence, we investigated the formation of liquid crystals, achieved by the introduction of long flexible side chains, and the photochemical behaviour that is characterized by the fragmentation of the central ring (Scheme 3).

  DOI：

  10.1002/prac.199533701137