ethyl 3-(2-cyanophenyl)-2-(phenylamino)propanoate | 1220703-77-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: ethyl 3-(2-cyanophenyl)-2-(phenylamino)propanoate
• 英文别名: Ethyl 2-anilino-3-(2-cyanophenyl)propanoate
• CAS: 1220703-77-4
• 化学式: C₁₈H₁₈N₂O₂
• 分子量: 294.353
• InChiKey: SCPXBJFNKPLVAZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  22
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  62.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  乙醛酸乙酯 、 苯胺 、 2-氰基溴苄 在 锌 作用下， 以 甲苯 、 乙腈 为溶剂， 反应 1.0h， 以55%的产率得到ethyl 3-(2-cyanophenyl)-2-(phenylamino)propanoate
  参考文献：
  名称：

  A Straightforward Three-Component Synthesis of α-Amino Esters Containing a Phenylalanine or a Phenylglycine Scaffold

  摘要：

  A range of alpha-amino esters has been synthesized in good to high yields using a straightforward three-component reaction among preformed or in situ generated aromatic or benzylic organozinc reagents, primary or secondary amines, and ethyl glyoxylate. The procedure, which is characterized by its simplicity, allows the concise synthesis of esters bearing a phenylglycine or a phenylalanine scaffold.

  DOI：

  10.1021/jo1002328

文献信息

• A Straightforward Three-Component Synthesis of α-Amino Esters Containing a Phenylalanine or a Phenylglycine Scaffold
  作者：Caroline Haurena、Erwan Le Gall、Stéphane Sengmany、Thierry Martens、Michel Troupel

  DOI：10.1021/jo1002328

  日期：2010.4.16

  A range of alpha-amino esters has been synthesized in good to high yields using a straightforward three-component reaction among preformed or in situ generated aromatic or benzylic organozinc reagents, primary or secondary amines, and ethyl glyoxylate. The procedure, which is characterized by its simplicity, allows the concise synthesis of esters bearing a phenylglycine or a phenylalanine scaffold.