2-(1H-吲哚-3-基亚甲基)-5,5-二甲基-1,3-环己烷二酮 | 40302-35-0

• 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
• 中文名称: 2-(1H-吲哚-3-基亚甲基)-5,5-二甲基-1,3-环己烷二酮
• 英文名称: 2-(1H-indol-3-ylmethylene)-5,5-dimethyl-cyclohexane-1,3-dione
• 英文别名: 2-indol-3-ylmethylene-5,5-dimethyl-cyclohexane-1,3-dione；5,5-Dimethyl-2-skatyliden-1,3-cyclohexandion；2-(1H-indol-3-ylmethylidene)-5,5-dimethylcyclohexane-1,3-dione
• CAS: 40302-35-0
• 化学式: C₁₇H₁₇NO₂
• 分子量: 267.327
• InChiKey: PVETXUPWVJBODN-UHFFFAOYSA-N

物化性质

• 熔点：
  162-163 °C
• 沸点：
  501.4±50.0 °C(Predicted)
• 密度：
  1.225±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  20
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  49.9
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(1H-吲哚-3-基亚甲基)-5,5-二甲基-1,3-环己烷二酮 、 sodium ethanolate 生成 sodium;2-(indol-1-id-3-ylmethylidene)-5,5-dimethylcyclohexane-1,3-dione
  参考文献：
  名称：

  VELEZHEVA V. S.; EROFEEV YU. V.; YARESKO N. S.; BALABUSHEVICH A. G.; CYBO+, XIMIYA GETEROTSIKL. SOEDIN., 1978, HO 10, 1343-1348

  摘要：

  DOI：
• 作为产物：
  描述：

  3-吲哚甲醛 、 5,5-二甲基-1,3-环己二酮 在 四丁基醋酸铵 作用下， 以92%的产率得到2-(1H-吲哚-3-基亚甲基)-5,5-二甲基-1,3-环己烷二酮
  参考文献：
  名称：

  Novel, Recyclable, and Thermally Stable Task-Specific Ionic Liquid (TBA Acetate) Medium/Catalyst for the Synthesis of Indolylidinecyclic-1,3- and -1,4-diketones

  摘要：

  A simple and efficient synthesis of indolylidinethiazolidnediones (3) and indolylidinecyclic-1,3-diketones (5) has been developed by reaction of indole-3-aldehyde (1) with thiazolidinedione (2) or cyclic-1,3-diketones (4) using tetra butyl ammonium acetate (TBAA) melt as novel, cost-effective, and recyclable ionic liquid under solvent-free green conditions at 100 degrees C for 15-20min without additional use of catalyst. [Supplementary materials are available for this article. Go to the publisher's online edition of Synthetic Communications (R) for the following free supplemental resource(s): Full experimental and spectral details.]

  DOI：

  10.1080/00397911.2013.806988

文献信息

• Novel, Recyclable, and Thermally Stable Task-Specific Ionic Liquid (TBA Acetate) Medium/Catalyst for the Synthesis of Indolylidinecyclic-1,3- and -1,4-diketones
  作者：Sd. Riyaz、A. Indrasena、A. Naidu、P. Dubey

  DOI：10.1080/00397911.2013.806988

  日期：2014.2

  A simple and efficient synthesis of indolylidinethiazolidnediones (3) and indolylidinecyclic-1,3-diketones (5) has been developed by reaction of indole-3-aldehyde (1) with thiazolidinedione (2) or cyclic-1,3-diketones (4) using tetra butyl ammonium acetate (TBAA) melt as novel, cost-effective, and recyclable ionic liquid under solvent-free green conditions at 100 degrees C for 15-20min without additional use of catalyst. [Supplementary materials are available for this article. Go to the publisher's online edition of Synthetic Communications (R) for the following free supplemental resource(s): Full experimental and spectral details.]
• VELEZHEVA V. S.; EROFEEV YU. V.; YARESKO N. S.; BALABUSHEVICH A. G.; CYBO+, XIMIYA GETEROTSIKL. SOEDIN., 1978, HO 10, 1343-1348
  作者：VELEZHEVA V. S.、 EROFEEV YU. V.、 YARESKO N. S.、 BALABUSHEVICH A. G.、 CYBO+

  DOI：——

  日期：——