ethyl 2-(allylamino)-3-(3-(trifluoromethyl)phenyl)propanoate | 1093847-27-8

• 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 2-(allylamino)-3-(3-(trifluoromethyl)phenyl)propanoate
• 英文别名: 2-(Allylamino)-3-[3-(trifluoromethyl)phenyl]propanoic acid ethyl ester；ethyl 2-(prop-2-enylamino)-3-[3-(trifluoromethyl)phenyl]propanoate
• CAS: 1093847-27-8
• 化学式: C₁₅H₁₈F₃NO₂
• 分子量: 301.309
• InChiKey: RCSWVPYDTXTVBK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  21
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  乙醛酸乙酯 、 丙烯胺 、 3-(三氟甲基)溴苄 在 锌 作用下， 以 甲苯 、 乙腈 为溶剂， 反应 1.0h， 以80%的产率得到ethyl 2-(allylamino)-3-(3-(trifluoromethyl)phenyl)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

• [EN] PHENYLALANINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCERS<br/>[FR] DÉRIVÉS DE PHÉNYLALANINE DESTINÉS À ÊTRE UTILISÉS DANS LE TRAITEMENT DE CANCERS
  申请人：UNIV PARIS VAL DE MARNE

  公开号：WO2019185907A1

  公开（公告）日：2019-10-03

  The present invention relates to the field of medicine, in particular of oncology. Especially, it provides new compounds useful in the treatment of various cancers. The present invention relates more particularly to methods for the treatment of cancer with IL4I1 expressing cells.

  本发明涉及医学领域，特别是肿瘤学领域。尤其是，提供了在治疗各种癌症方面有用的新化合物。本发明更具体地涉及使用表达IL4I1的细胞治疗癌症的方法。
• A concise three-component synthesis of α-amino esters derived from phenylglycine and phenylalanine
  作者：Caroline Haurena、Stéphane Sengmany、Paul Huguen、Erwan Le Gall、Thierry Martens、Michel Troupel

  DOI：10.1016/j.tetlet.2008.09.137

  日期：2008.12

  alpha-Amino esters have been synthesized 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 phenylglycine and phenylalanine derivatives, (C) 2008 Elsevier Ltd. All rights reserved.
• PHENYLALANINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCERS
  申请人：UNIVERSITE PARIS EST CRETEIL VAL DE MARNE

  公开号：US20210023034A1

  公开（公告）日：2021-01-28

  The present invention relates to the field of medicine, in particular of oncology. Especially, it provides new compounds useful in the treatment of various cancers. The present invention relates more particularly to methods for the treatment of cancer with IL4I1 expressing cells.