(S)-methyl 4-methyl-2-((S)-2-(2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-3-phenylpropanamido)pentanoate | 1632323-13-7

• 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: (S)-methyl 4-methyl-2-((S)-2-(2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-3-phenylpropanamido)pentanoate
• 英文别名: methyl (2S)-4-methyl-2-[[(2S)-2-(5-oxo-2H-pyrrol-1-yl)-3-phenylpropanoyl]amino]pentanoate
• CAS: 1632323-13-7
• 化学式: C₂₀H₂₆N₂O₄
• 分子量: 358.437
• InChiKey: FMFZSZPDBISNMU-IRXDYDNUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  26
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  75.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  、 (S)-methyl 4-methyl-2-((S)-2-(2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-3-phenylpropanamido)pentanoate 以 二氯甲烷 为溶剂， 生成 (S)-methyl 2-((S)-2-(4-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxopyrrolidin-1-yl)-3-phenylpropanamido)-4-methylpentanoate 、 methyl 2-(2-(4-(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxopyrrolidin-1-yl)-3-phenylpropanamido)-4-methylpentanoate
  参考文献：
  名称：

  Studies of the New Reactivity of Chiral Acrylamides and Unprotected Pyrroles: Diastereoselective and Carbonyl Compatible 1,4-Addition

  摘要：

  A diversity of new functionalized cyclic and acyclic chiral pyrroloamides compounds were synthesized in good yields and diastereoselectivities in the case of cyclic pyrroloamides. This simple and robust process involves the creation of a C-C bond between unprotected pyrroles and cyclic or hindered chiral acrylamides.

  DOI：

  10.1055/s-0033-1341275
• 作为产物：
  描述：

  在 Hoveyda-Grubbs catalyst second generation 、 烯丙基三甲基硅烷 作用下， 以 二氯甲烷 为溶剂， 反应 4.0h， 生成 (S)-methyl 4-methyl-2-((S)-2-(2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-3-phenylpropanamido)pentanoate
  参考文献：
  名称：

  Studies of the New Reactivity of Chiral Acrylamides and Unprotected Pyrroles: Diastereoselective and Carbonyl Compatible 1,4-Addition

  摘要：

  A diversity of new functionalized cyclic and acyclic chiral pyrroloamides compounds were synthesized in good yields and diastereoselectivities in the case of cyclic pyrroloamides. This simple and robust process involves the creation of a C-C bond between unprotected pyrroles and cyclic or hindered chiral acrylamides.

  DOI：

  10.1055/s-0033-1341275