phenyl (Z)-3-(benzylamino)but-2-enoate | 1587714-29-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: phenyl (Z)-3-(benzylamino)but-2-enoate
• CAS: 1587714-29-1
• 化学式: C₁₇H₁₇NO₂
• 分子量: 267.327
• InChiKey: AQRVYPSASUJLPT-OWBHPGMISA-N

物化性质

• 沸点：
  426.1±34.0 °C(Predicted)
• 密度：
  1.116±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  苯酚 在 咪唑 、 benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate 作用下， 以 5,5-dimethyl-1,3-cyclohexadiene 、 氯仿 为溶剂， 反应 12.5h， 生成 phenyl (Z)-3-(benzylamino)but-2-enoate
  参考文献：
  名称：

  A Chemoselective Route to β-Enamino Esters and Thioesters

  摘要：

  Conditions were developed for syntheses of beta-enamino esters, thioesters, and amides. These reactions involve hydroxybenzotriazole derivatives in buffered media. Illustrative syntheses of some heterocyclic systems are given, including some related to protein protein interface mimics.

  DOI：

  10.1021/ol5005643

文献信息

• A Chemoselective Route to β-Enamino Esters and Thioesters
  作者：Dongyue Xin、Kevin Burgess

  DOI：10.1021/ol5005643

  日期：2014.4.18

  Conditions were developed for syntheses of beta-enamino esters, thioesters, and amides. These reactions involve hydroxybenzotriazole derivatives in buffered media. Illustrative syntheses of some heterocyclic systems are given, including some related to protein protein interface mimics.