(3-n-butylindan-1-ylidene)propylamine | 261776-34-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 英文名称: (3-n-butylindan-1-ylidene)propylamine
• CAS: 261776-34-5
• 化学式: C₁₆H₂₃N
• 分子量: 229.365
• InChiKey: GPQGCHVEVZMIPM-WUKNDPDISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.56
• 重原子数：
  17.0
• 可旋转键数：
  5.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  12.36
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  (3-n-butylindan-1-ylidene)propylamine 在 (R,R)-(ethylenebis(tetrahydroindenyl))TiF₂ 、 苯硅烷 作用下， 以 四氢呋喃 为溶剂， 反应 42.0h， 生成 (S)-3-butyl-2,3-dihydro-1H-inden-1-one 、 3-n-butyl-1-indanone 、 (3-n-butylindan-1-yl)propylamine 、 (3-n-butylindan-1-yl)propylamine
  参考文献：
  名称：

  Efficient Kinetic Resolution in the Asymmetric Hydrosilylation of Imines of 3-Substituted Indanones and 4-Substituted Tetralones

  摘要：

  Kinetic resolution of the N-methyl imines of 3-substituted indanones and 4-substituted tetralones could be accomplished by hydrosilylation with a chiral titanocene catalyst. N-Methyl imines of 4-substituted tetralones were resolved to yield, after hydrolysis of the unreacted starting materials, ketones with high ee's and the amine products with high diastereomeric and enantiomeric purity. The utility of this process was demonstrated in the synthesis of sertraline.

  DOI：

  10.1021/jo991328h
• 作为产物：
  描述：

  ethyl 3-phenylheptanoate 在 sodium hydroxide 、 三氯化铝 、 草酰氯 、 四氯化钛 作用下， 以 乙醚 、 N,N-二甲基甲酰胺 、 苯 为溶剂， 生成 (3-n-butylindan-1-ylidene)propylamine
  参考文献：
  名称：

  Efficient Kinetic Resolution in the Asymmetric Hydrosilylation of Imines of 3-Substituted Indanones and 4-Substituted Tetralones

  摘要：

  Kinetic resolution of the N-methyl imines of 3-substituted indanones and 4-substituted tetralones could be accomplished by hydrosilylation with a chiral titanocene catalyst. N-Methyl imines of 4-substituted tetralones were resolved to yield, after hydrolysis of the unreacted starting materials, ketones with high ee's and the amine products with high diastereomeric and enantiomeric purity. The utility of this process was demonstrated in the synthesis of sertraline.

  DOI：

  10.1021/jo991328h