3-[4-[C-methyl-N-[(1S)-1-phenylethyl]carbonimidoyl]phenoxy]propan-1-ol | 650598-85-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 3-[4-[C-methyl-N-[(1S)-1-phenylethyl]carbonimidoyl]phenoxy]propan-1-ol
• CAS: 650598-85-9
• 化学式: C₁₉H₂₃NO₂
• 分子量: 297.397
• InChiKey: SXRRVFPBZBWJIF-QOBDKFOYSA-N

物化性质

• 沸点：
  422.1±45.0 °C(Predicted)
• 密度：
  1.03±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.02
• 重原子数：
  22.0
• 可旋转键数：
  7.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  41.82
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  3-[4-[C-methyl-N-[(1S)-1-phenylethyl]carbonimidoyl]phenoxy]propan-1-ol 在 palladium on activated charcoal 氢气 作用下， 以 四氢呋喃 为溶剂， 反应 24.0h， 生成 3-{4-[(1S)-1-{[(1S)-1-Phenylethyl]amino}ethyl]phenoxy}propan-1-ol 、
  参考文献：
  名称：

  An insoluble polymer-bound phosphoramidite for the copper-catalysed enantioselective 1,4-addition of ZnEt2 to 2-cyclohexenone

  摘要：

  The preparation of a chiral phosphoramidite ligand anchored to a Merrifield resin has been studied and its use in the copper-catalysed heterogeneous enantioselective conjugate addition of ZnEt2 to 2-cyclohexenone investigated. The insoluble polymer bound ligand could be recovered quantitatively by filtration, affording e.e. values in the range 65-84%, in the course of successive recycle runs. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2003.08.004
• 作为产物：
  描述：

  对羟基苯乙酮 在 18-冠醚-6 、 potassium carbonate 、 对甲苯磺酸 作用下， 以 丙酮 、 甲苯 为溶剂， 反应 72.0h， 生成 3-[4-[C-methyl-N-[(1S)-1-phenylethyl]carbonimidoyl]phenoxy]propan-1-ol
  参考文献：
  名称：

  An insoluble polymer-bound phosphoramidite for the copper-catalysed enantioselective 1,4-addition of ZnEt2 to 2-cyclohexenone

  摘要：

  The preparation of a chiral phosphoramidite ligand anchored to a Merrifield resin has been studied and its use in the copper-catalysed heterogeneous enantioselective conjugate addition of ZnEt2 to 2-cyclohexenone investigated. The insoluble polymer bound ligand could be recovered quantitatively by filtration, affording e.e. values in the range 65-84%, in the course of successive recycle runs. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2003.08.004

文献信息

• An insoluble polymer-bound phosphoramidite for the copper-catalysed enantioselective 1,4-addition of ZnEt2 to 2-cyclohexenone
  作者：Alessandro Mandoli、Massimo Calamante、Ben L. Feringa、Piero Salvadori

  DOI：10.1016/j.tetasy.2003.08.004

  日期：2003.11

  The preparation of a chiral phosphoramidite ligand anchored to a Merrifield resin has been studied and its use in the copper-catalysed heterogeneous enantioselective conjugate addition of ZnEt2 to 2-cyclohexenone investigated. The insoluble polymer bound ligand could be recovered quantitatively by filtration, affording e.e. values in the range 65-84%, in the course of successive recycle runs. (C) 2003 Elsevier Ltd. All rights reserved.