N-methyl-7-octyl-1H-indol-4-amine | 160096-21-9

• 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: N-methyl-7-octyl-1H-indol-4-amine
• CAS: 160096-21-9
• 化学式: C₁₇H₂₆N₂
• 分子量: 258.407
• InChiKey: DQEYPPCFGTWSAT-UHFFFAOYSA-N

物化性质

• 沸点：
  427.744±33.00 °C(Press: 760.00 Torr)(predicted)
• 密度：
  1.021±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  19
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  27.8
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  N-methyl-7-octyl-1H-indol-4-amine 在 2,6-二甲基吡啶 、 sodium carbonate 作用下， 以 二氯甲烷 、 1,2-二氯乙烷 为溶剂， 生成 (S)-2-[(3-{2-Ethoxycarbonyl-2-[(Z)-hydroxyimino]-ethyl}-7-octyl-1H-indol-4-yl)-methyl-amino]-3-methyl-butyric acid benzyl ester
  参考文献：
  名称：

  Protein kinase C modulators. Indolactams. 2.1 Alkylation of 4-nitroindole by Grignard reagents. Synthesis of (-)-7-octylindolactam V

  摘要：

  A method for the C-alkylation of 4-nitroindole at the 5 and 7 positions by alkyl Grignard reagents has been developed. The 4-nitro-7-octylindole thus prepared has been used as a starting material for the synthesis of the lyngbyatoxin analog, (-)-7-octylindolactam V.

  DOI：

  10.1016/s0040-4039(00)78434-6
• 作为产物：
  描述：

  1-辛基氯化镁, 1M IN METHF 在 palladium on activated charcoal dimethyl sulfide borane 、 氢气 作用下， 以 四氢呋喃 为溶剂， 生成 N-methyl-7-octyl-1H-indol-4-amine
  参考文献：
  名称：

  Protein kinase C modulators. Indolactams. 2.1 Alkylation of 4-nitroindole by Grignard reagents. Synthesis of (-)-7-octylindolactam V

  摘要：

  A method for the C-alkylation of 4-nitroindole at the 5 and 7 positions by alkyl Grignard reagents has been developed. The 4-nitro-7-octylindole thus prepared has been used as a starting material for the synthesis of the lyngbyatoxin analog, (-)-7-octylindolactam V.

  DOI：

  10.1016/s0040-4039(00)78434-6

文献信息

• Protein kinase C modulators. Indolactams. 2.1 Alkylation of 4-nitroindole by Grignard reagents. Synthesis of (-)-7-octylindolactam V
  作者：James Quick、Bijali Saha

  DOI：10.1016/s0040-4039(00)78434-6

  日期：1994.11

  A method for the C-alkylation of 4-nitroindole at the 5 and 7 positions by alkyl Grignard reagents has been developed. The 4-nitro-7-octylindole thus prepared has been used as a starting material for the synthesis of the lyngbyatoxin analog, (-)-7-octylindolactam V.