3-(2-(4-methoxyphenyl)propan-2-yl)-1-(prop-2-ynyl)-1H-indole | 1417657-65-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 3-(2-(4-methoxyphenyl)propan-2-yl)-1-(prop-2-ynyl)-1H-indole
• 英文别名: 3-[2-(4-Methoxyphenyl)propan-2-yl]-1-prop-2-ynylindole；3-[2-(4-methoxyphenyl)propan-2-yl]-1-prop-2-ynylindole
• CAS: 1417657-65-8
• 化学式: C₂₁H₂₁NO
• 分子量: 303.404
• InChiKey: SEIMQLLMNRNXFS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  14.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  1-异丙烯基-4-甲氧基苯 、 1-(2-丙炔)-1H-吲哚 在 [Pd(COD)Cl(SnCl3)] 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 4.0h， 以65%的产率得到3-(2-(4-methoxyphenyl)propan-2-yl)-1-(prop-2-ynyl)-1H-indole
  参考文献：
  名称：

  Heterobimetallic Pd–Sn catalysis: highly selective intermolecular hydroarylation of α-methyl substituted aryl alkenes

  摘要：

  The heterobimetallic catalyst [Pd(COD)Cl-SnCl3] efficiently promotes the intermolecular hydroarylation of alpha-methyl substituted arenes (otherwise known to be dimerized/polymerized in presence of Lewis Acids) with indoles and other O-, S-heteroarenes leading to Markovnikov adducts. The reaction takes place under air and moisture insensitive condition. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.11.038

文献信息

• Heterobimetallic Pd–Sn catalysis: highly selective intermolecular hydroarylation of α-methyl substituted aryl alkenes
  作者：Debjit Das、Sanjay Pratihar、Sujit Roy

  DOI：10.1016/j.tetlet.2012.11.038

  日期：2013.1

  The heterobimetallic catalyst [Pd(COD)Cl-SnCl3] efficiently promotes the intermolecular hydroarylation of alpha-methyl substituted arenes (otherwise known to be dimerized/polymerized in presence of Lewis Acids) with indoles and other O-, S-heteroarenes leading to Markovnikov adducts. The reaction takes place under air and moisture insensitive condition. (C) 2012 Elsevier Ltd. All rights reserved.