3-(2-Methyl-2,3-dihydro-indol-1-yl)-1-p-tolyl-propan-1-one

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-(2-Methyl-2,3-dihydro-indol-1-yl)-1-p-tolyl-propan-1-one
• 英文别名: 3-(2-Methyl-2,3-dihydroindol-1-yl)-1-(4-methylphenyl)propan-1-one
• 化学式: C₁₉H₂₁NO
• 分子量: 279.382
• InChiKey: ANWLIIDHRMTWRE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-(4-methylbenzoyl)-acrylic acid 、 2-甲基吲哚啉 在 trityl chloride resine 、 溶剂黄146 、 N,N-二异丙基乙胺 作用下， 生成 3-(2-Methyl-2,3-dihydro-indol-1-yl)-1-p-tolyl-propan-1-one
  参考文献：
  名称：

  Decarboxylation-based traceless linking with aroyl acrylic acids

  摘要：

  beta-Keto carboxylic acids are known to decarboxylate readily. In our pursuit to synthesize beta-indolinyl propiophenones, we have exploited this chemistry as a mean of establishing a traceless handle. 2-Aroyl acrylic acids have been esterified to a trityl resin, after which Michael-type addition of indolines have been performed. Upon cleavage, the products are decarboxylated, and the beta-indolinyl propiophenones are isolated. The reaction conditions have been optimized, and a small library has been prepared. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)00176-2