(3R)-3-(2-methoxy-5-methyl-4-pyrrolidin-1-ylphenyl)-3-phenyl-N,N-di(propan-2-yl)propan-1-amine | 1151860-62-6

• 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: (3R)-3-(2-methoxy-5-methyl-4-pyrrolidin-1-ylphenyl)-3-phenyl-N,N-di(propan-2-yl)propan-1-amine
• CAS: 1151860-62-6
• 化学式: C₂₇H₄₀N₂O
• 分子量: 408.627
• InChiKey: LIQFZTYLVSBFDJ-XMMPIXPASA-N

物化性质

• 沸点：
  535.7±50.0 °C(predicted)
• 密度：
  1.010±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  30
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  15.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (3R)-3-(2-methoxy-5-methyl-4-pyrrolidin-1-ylphenyl)-3-phenyl-N,N-di(propan-2-yl)propan-1-amine 、 三氟甲烷磺酸甲酯 以 二氯甲烷 为溶剂， 反应 20.0h， 生成
  参考文献：
  名称：

  A process for the rapid removal of dialkylamino-substituents from aromatic rings. Application to the expedient synthesis of (R)-tolterodine

  摘要：

  A range of N,N-dialkylanilines have been Successfully converted to the parent Substituted benzenes by a novel two-step pathway. The products are obtained in good yields and optical purity of adjacent stereocenters is maintained. This technology has been applied toward the synthesis of (R)-tolterodine. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.12.054
• 作为产物：
  描述：

  (R)-β-(2-methoxy-5-methyl-4-(1-pyrrolidino)-phenyl)-dihydrocinnamaldehyde 、 二异丙胺 在 三乙酰氧基硼氢化钠 作用下， 以 四氢呋喃 为溶剂， 反应 6.0h， 生成 (3R)-3-(2-methoxy-5-methyl-4-pyrrolidin-1-ylphenyl)-3-phenyl-N,N-di(propan-2-yl)propan-1-amine
  参考文献：
  名称：

  A process for the rapid removal of dialkylamino-substituents from aromatic rings. Application to the expedient synthesis of (R)-tolterodine

  摘要：

  A range of N,N-dialkylanilines have been Successfully converted to the parent Substituted benzenes by a novel two-step pathway. The products are obtained in good yields and optical purity of adjacent stereocenters is maintained. This technology has been applied toward the synthesis of (R)-tolterodine. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.12.054