ethyl (E,4S,5S)-4-(dibenzylamino)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpent-2-enoate | 239437-18-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: ethyl (E,4S,5S)-4-(dibenzylamino)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpent-2-enoate
• CAS: 239437-18-4
• 化学式: C₃₂H₃₈N₂O₄
• 分子量: 514.665
• InChiKey: ILMQLDCTICGMRR-XYGYDIQQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  38
• 可旋转键数：
  14
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  67.9
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  甲醇 、 ethyl (E,4S,5S)-4-(dibenzylamino)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpent-2-enoate 在 magnesium 作用下， 生成
  参考文献：
  名称：

  Stereoselective synthesis of (+)-CP-99,994: A substance P non-peptide antagonist

  摘要：

  A highly stereoflexible total synthesis of(+)-CP-99,994 is achieved starting, from (S)-serine. key steps being a diastereoselective Grignard addition, a one-pot reductive protection of an azide, and one-pot oxidative Wittig olefination. (C) 1999 Published by Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(99)00983-1
• 作为产物：
  描述：

  (2R,3S)-3-(tert-butoxycarbonylamino)-2-(dibenzylamino)-3-phenylpropanol 在 草酰氯 、 二甲基亚砜 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 ethyl (E,4S,5S)-4-(dibenzylamino)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpent-2-enoate
  参考文献：
  名称：

  Stereoselective synthesis of (+)-CP-99,994: A substance P non-peptide antagonist

  摘要：

  A highly stereoflexible total synthesis of(+)-CP-99,994 is achieved starting, from (S)-serine. key steps being a diastereoselective Grignard addition, a one-pot reductive protection of an azide, and one-pot oxidative Wittig olefination. (C) 1999 Published by Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(99)00983-1

文献信息

• Stereoselective synthesis of (+)-CP-99,994: A substance P non-peptide antagonist
  作者：S. Chandrasekhar、Pradyumna K. Mohanty

  DOI：10.1016/s0040-4039(99)00983-1

  日期：1999.7

  A highly stereoflexible total synthesis of(+)-CP-99,994 is achieved starting, from (S)-serine. key steps being a diastereoselective Grignard addition, a one-pot reductive protection of an azide, and one-pot oxidative Wittig olefination. (C) 1999 Published by Elsevier Science Ltd. All rights reserved.