3-(β-methallyl)-N-methylindole | 1016649-42-5

• 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-(β-methallyl)-N-methylindole
• 英文别名: 1-Methyl-3-(2-methylprop-2-enyl)indole
• CAS: 1016649-42-5
• 化学式: C₁₃H₁₅N
• 分子量: 185.269
• InChiKey: HVXVUZREYXHXMX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  4.9
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  1-甲基吲哚 、 2-甲基-2-丙烯-1-醇 在 {(η4-1,5-cyclooctadiene)Pd(η3-allyl)}BF4 、 6-(bis(3,5-bis(trifluoromethyl)phenyl)phosphaneyl)pyridin-2(1H)-one 作用下， 以 甲苯 为溶剂， 反应 20.0h， 以94%的产率得到3-(β-methallyl)-N-methylindole
  参考文献：
  名称：

  Allylation of N-Heterocycles with Allylic Alcohols Employing Self-Assembling Palladium Phosphane Catalysts

  摘要：

  The first palladium catalyst system that allows the direct allylation of indoles with allylic alcohols as substrates with water being the only byproduct is presented. The application of self-assembing ligands based on complementary hydrogen bonding was the key to success.

  DOI：

  10.1021/ol800073v

文献信息

• Allylation of <i>N</i>-Heterocycles with Allylic Alcohols Employing Self-Assembling Palladium Phosphane Catalysts
  作者：Ippei Usui、Stefan Schmidt、Manfred Keller、Bernhard Breit

  DOI：10.1021/ol800073v

  日期：2008.3.1

  The first palladium catalyst system that allows the direct allylation of indoles with allylic alcohols as substrates with water being the only byproduct is presented. The application of self-assembing ligands based on complementary hydrogen bonding was the key to success.