1-[2-(1-hydroxy-1-diphenylmethyl)-pyrrolidin-1-yl]-4-methylpent-3-en-2-one | 592527-08-7

• 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: 1-[2-(1-hydroxy-1-diphenylmethyl)-pyrrolidin-1-yl]-4-methylpent-3-en-2-one
• CAS: 592527-08-7
• 化学式: C₂₃H₂₇NO₂
• 分子量: 349.473
• InChiKey: NAIWNEDQXMGAKO-QFIPXVFZSA-N

物化性质

• 沸点：
  505.1±40.0 °C(Predicted)
• 密度：
  1.114±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.92
• 重原子数：
  26.0
• 可旋转键数：
  6.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  40.54
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  1-[2-(1-hydroxy-1-diphenylmethyl)-pyrrolidin-1-yl]-4-methylpent-3-en-2-one 在 potassium carbonate 、 一水合肼 作用下， 以 乙醇 、 乙腈 为溶剂， 反应 2.0h， 生成 [(2S)-1-[[5,5-dimethyl-1-(naphthalen-1-ylmethyl)-4H-pyrazol-3-yl]methyl]pyrrolidin-2-yl]-diphenylmethanol
  参考文献：
  名称：

  A New Class of Modular Chiral Ligands with Fluxional Groups

  摘要：

  In ligand design for asymmetric catalysis, the usual norm is to derive the face shielding elements from a chiral source. New ligands in which the face shielding is determined by fluxional groups are introduced. Their design, modular synthesis, and experiments to demonstrate the significance of the fluxional groups are discussed. The advantage is that the fluxional groups, introduced at a later stage, allow for simple tuning of the face shielding group.

  DOI：

  10.1021/ja035979d
• 作为产物：
  描述：

  (S)-(+)-alpha,alpha-二苯基脯氨醇 、 1-溴-4-甲基-3-戊烯-2-酮 在 三乙胺 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 以52%的产率得到1-[2-(1-hydroxy-1-diphenylmethyl)-pyrrolidin-1-yl]-4-methylpent-3-en-2-one
  参考文献：
  名称：

  A New Class of Modular Chiral Ligands with Fluxional Groups

  摘要：

  In ligand design for asymmetric catalysis, the usual norm is to derive the face shielding elements from a chiral source. New ligands in which the face shielding is determined by fluxional groups are introduced. Their design, modular synthesis, and experiments to demonstrate the significance of the fluxional groups are discussed. The advantage is that the fluxional groups, introduced at a later stage, allow for simple tuning of the face shielding group.

  DOI：

  10.1021/ja035979d