ethyl 2-(3-bromobenzyl)-3-(3-bromophenyl)-2-formamidopropionate

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: ethyl 2-(3-bromobenzyl)-3-(3-bromophenyl)-2-formamidopropionate
• 英文别名: Ethyl 2-formamido-2-(3-bromobenzyl)-3-(3-bromophenyl)propanoate；ethyl 3-(3-bromophenyl)-2-[(3-bromophenyl)methyl]-2-formamidopropanoate
• 化学式: C₁₉H₁₉Br₂NO₃
• 分子量: 469.173
• InChiKey: WLABONKSEDEDDQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  25
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  55.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  在 盐酸 作用下， 以 乙醚 为溶剂， 以59%的产率得到ethyl 2-(3-bromobenzyl)-3-(3-bromophenyl)-2-formamidopropionate
  参考文献：
  名称：

  Synthesis of highly functionalised dibenzylglycine derivatives via the Suzuki–Miyaura coupling reaction

  摘要：

  Several alpha,alpha -dibenzylglycine (alpha -benzylphenylalanine) derivatives were prepared by alkylation of the ethyl isocyanoacetate with different benzyl bromide derivatives. Various aryl groups were introduced in the dibenzylglycine moiety via the Suzuki-Miyaura. coupling reaction. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00686-2

文献信息

• Ethyl 2-formamido-2-(4-iodobenzyl)-3-(4-iodophenyl)propionate and ethyl 2-(3-bromobenzyl)-3-(3-bromophenyl)-2-formamidopropionate
  作者：Lakshminarasimhan Damodharan、Vasantha Pattabhi、Manoranjan Behera、Sambasivarao Kotha

  DOI：10.1107/s0108270103005183

  日期：2003.4.15

  The title compounds, C19H19I2NO3 and C19H19Br2NO3, are derivatives of alpha-aminoisobutyric acid with halogen substituents at the para and meta positions, respectively. The ethoxycarbonyl and formamide side chains attached to the C-alpha atom of the molecule adopt extended and folded conformations, respectively. The crystal structures are stabilized by N-H...O, C-H...O, C-Br...O and C-I...O interactions.