methyl (2S)-2-(5-oxohexanoylamino)-3-phenylpropanoate | 833447-42-0

• 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: methyl (2S)-2-(5-oxohexanoylamino)-3-phenylpropanoate
• CAS: 833447-42-0
• 化学式: C₁₆H₂₁NO₄
• 分子量: 291.347
• InChiKey: GACDASSMCPAAMA-AWEZNQCLSA-N

物化性质

• 沸点：
  487.9±40.0 °C(Predicted)
• 密度：
  1.115±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.65
• 重原子数：
  21.0
• 可旋转键数：
  8.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  72.47
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  methyl (2S)-2-(5-oxohexanoylamino)-3-phenylpropanoate 在 四氢吡咯 作用下， 以 氘代氯仿 为溶剂， 生成
  参考文献：
  名称：

  Reversible Diels−Alder Reactions for the Generation of Dynamic Combinatorial Libraries

  摘要：

  Condensation reactions between various dienes and dienophiles have been screened for reversibility. Functionalized fulvenes, bearing in particular biological groups, and cyanolefins have been found to react rapidly and reversibly, in the temperature range from -10 to +50 degreesC. These results pave the way for the development of dynamic combinatorial libraries based on reversible Diels-Alder chemistry.

  DOI：

  10.1021/ol048065k
• 作为产物：
  描述：

  L-苯丙氨酸甲酯 、 5-氧代己酸 在 N,N'-二异丙基碳二亚胺 作用下， 以57%的产率得到methyl (2S)-2-(5-oxohexanoylamino)-3-phenylpropanoate
  参考文献：
  名称：

  Reversible Diels−Alder Reactions for the Generation of Dynamic Combinatorial Libraries

  摘要：

  Condensation reactions between various dienes and dienophiles have been screened for reversibility. Functionalized fulvenes, bearing in particular biological groups, and cyanolefins have been found to react rapidly and reversibly, in the temperature range from -10 to +50 degreesC. These results pave the way for the development of dynamic combinatorial libraries based on reversible Diels-Alder chemistry.

  DOI：

  10.1021/ol048065k

文献信息

• Reversible Diels−Alder Reactions for the Generation of Dynamic Combinatorial Libraries
  作者：Peter J. Boul、Philippe Reutenauer、Jean-Marie Lehn

  DOI：10.1021/ol048065k

  日期：2005.1.1

  Condensation reactions between various dienes and dienophiles have been screened for reversibility. Functionalized fulvenes, bearing in particular biological groups, and cyanolefins have been found to react rapidly and reversibly, in the temperature range from -10 to +50 degreesC. These results pave the way for the development of dynamic combinatorial libraries based on reversible Diels-Alder chemistry.