N-(2-(4,6-dimethoxy-3-(p-tolyl)-1H-indol-7-yl)-2-oxoethyl)-4,6-dimethoxy-3-(p-tolyl)-1H-indole-7-carboxamide | 1422975-96-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: N-(2-(4,6-dimethoxy-3-(p-tolyl)-1H-indol-7-yl)-2-oxoethyl)-4,6-dimethoxy-3-(p-tolyl)-1H-indole-7-carboxamide
• 英文别名: N-[2-[4,6-dimethoxy-3-(4-methylphenyl)-1H-indol-7-yl]-2-oxoethyl]-4,6-dimethoxy-3-(4-methylphenyl)-1H-indole-7-carboxamide
• CAS: 1422975-96-9
• 化学式: C₃₇H₃₅N₃O₆
• 分子量: 617.701
• InChiKey: AWRKORXZKQTGAF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  46
• 可旋转键数：
  10
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  115
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  N-(2-(4,6-dimethoxy-3-(p-tolyl)-1H-indol-7-yl)-2-oxoethyl)-4,6-dimethoxy-3-(p-tolyl)-1H-indole-7-carboxamide 在 三氯氧磷 作用下， 以 乙酸乙酯 为溶剂， 反应 2.0h， 以61%的产率得到2,5-bis-(4,6-dimethoxy-3-(p-tolyl)-1H-indol-7-yl)-oxazole
  参考文献：
  名称：

  Synthesis of 5-(7′-indolyl)oxazoles and 2,5-di-(7′-indolyl)oxazoles

  摘要：

  The synthesis of 7-aminoacetylindoles was achieved via the hydrogenation of 7-acylcyanides, which were produced through the oxidation of indole-7-cyanohydrin silylether intermediates. 7-Oxotryptamines were subsequently converted into 5-(7'-indolyl)oxazoles by reaction with acetic anhydride followed by phosphoryl chloride, and to 2,5-di-(7'-indolyl)oxazoles by reaction with 7-trichloroacetylindoles followed by phosphoryl chloride. (c) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.12.084
• 作为产物：
  描述：

  4,6-dimethoxy-3-(4-methylphenyl)-1H-indole-7-carbaldehyde 在 palladium 10% on activated carbon 、 氢气 、 三乙胺 、 2,3-二氯-5,6-二氰基-1,4-苯醌 作用下， 以 1,4-二氧六环 、 乙酸乙酯 、 乙腈 为溶剂， 反应 20.0h， 生成 N-(2-(4,6-dimethoxy-3-(p-tolyl)-1H-indol-7-yl)-2-oxoethyl)-4,6-dimethoxy-3-(p-tolyl)-1H-indole-7-carboxamide
  参考文献：
  名称：

  Synthesis of 5-(7′-indolyl)oxazoles and 2,5-di-(7′-indolyl)oxazoles

  摘要：

  The synthesis of 7-aminoacetylindoles was achieved via the hydrogenation of 7-acylcyanides, which were produced through the oxidation of indole-7-cyanohydrin silylether intermediates. 7-Oxotryptamines were subsequently converted into 5-(7'-indolyl)oxazoles by reaction with acetic anhydride followed by phosphoryl chloride, and to 2,5-di-(7'-indolyl)oxazoles by reaction with 7-trichloroacetylindoles followed by phosphoryl chloride. (c) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.12.084