N,N-二乙基-L-苯丙氨酸乙酯 | 61533-15-1

• 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
• 中文名称: N,N-二乙基-L-苯丙氨酸乙酯
• 英文名称: ethyl 2-diethylamino-3-phenylpropiolate
• 英文别名: Ethyl 2-(diethylamino)-3-phenylpropanoate
• CAS: 61533-15-1
• 化学式: C₁₅H₂₃NO₂
• 分子量: 249.353
• InChiKey: FZXFCFFOWACBMD-UHFFFAOYSA-N

物化性质

• 沸点：
  336.7±35.0 °C(Predicted)
• 密度：
  1.001±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  18
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  氯化苄 在 三氟乙酸 作用下， 以 甲苯 、 乙腈 为溶剂， 反应 15.0h， 生成 N,N-二乙基-L-苯丙氨酸乙酯
  参考文献：
  名称：

  Identification of inhibitors of the immunosuppressive enzyme IL4I1

  摘要：

  DOI：

  10.1016/j.bioorg.2019.103463

文献信息

• Captodative Formyl Enamines in a New Synthesis of Tertiary α-Amino Esters
  作者：Alexandre Rulev、Lyudmila Larina、Mikhail Voronkov

  DOI：10.3390/61100892

  日期：——

  A strategy to create the –CH(NR2)CO- moiety from captodative formyl enamines was successfully applied to the synthesis of tertiary α-amino esters.

  一种将–CH(NR2)CO-基团从捕获稳定的形式亚胺成功应用于合成三级α-氨基酯的策略。
• Transformations des énamines α-formylées: synthèse d’α-amino esters N,N-disubstitués
  作者：Alexander Yu. Rulev、Lyudmila I. Larina、Mikhail G. Voronkov

  DOI：10.1016/s0040-4039(00)01838-4

  日期：2000.12

  2-Dialkylaminoalkanoic esters are prepared in moderate yield by the reaction of N,N-disubstituted 2-amino-2-alkenals with dialkyl phosphonates in the presence of sodium alcoxide. A mechanism involving an α-keto-β-aminophosphonate as an intermediate is proposed.

  通过使N，N-二取代的2-氨基-2-烯醛与二烷基膦酸酯在氧化钠的存在下反应，以中等收率制备2-二烷基氨基链烷酸酯。提出了以α-酮-β-氨基膦酸酯为中间体的机理。
• [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.
• 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.