(1-acetyl-indol-3-yl)-acetone | 105903-08-0

• 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
• 英文名称: (1-acetyl-indol-3-yl)-acetone
• 英文别名: (1-Acetyl-indol-3-yl)-aceton；1-(1-Acetylindol-3-yl)propan-2-one
• CAS: 105903-08-0
• 化学式: C₁₃H₁₃NO₂
• 分子量: 215.252
• InChiKey: VNADFLOGNZSFBO-UHFFFAOYSA-N

物化性质

• 沸点：
  120 °C(Press: 10-15 Torr)
• 密度：
  1.14±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  16
• 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：
  39.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (1-acetyl-indol-3-yl)-acetone 在 sodium methylate 作用下， 生成 吲哚-3-丙酮
  参考文献：
  名称：

  Brown et al., Journal of the Chemical Society, 1952, p. 3172,3175

  摘要：

  DOI：
• 作为产物：
  描述：

  吲哚-3-丙酮 、 乙酸酐 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 (1-acetyl-indol-3-yl)-acetone
  参考文献：
  名称：

  Electrosynthesis of fluorinated indole derivatives

  摘要：

  Anodic fluorination of various N-acetyl-3-substituted indole derivatives was successfully carried out in Et(4)NF-4HF/MeCN to provide the corresponding trans-2,3-difluoro-2,3-dihydroindoles exclusively or selectively. Treatment of difluorinated products with a base provided monofluoroindole derivatives or monofluoroindoline derivative depending on the substituents at the 3-position. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.06.063

文献信息

• A Facile Preparation of 3-Alkylindoles via Wittig Reaction of 1-Acetylindol-3(2<i>H</i>)-ones with Stabilized Phosphonium Ylides
  作者：Tomomi Kawasaki、Yoshinori Nonaka、Maki Uemura、Masanori Sakamoto

  DOI：10.1055/s-1991-26550

  日期：——

  3-Alkylindoles can be conveniently prepared by the Wittig reaction of 1-acetyl-indol-3(2H)-ones with the stabilized phosphonium ylides.

  3-烷基吲哚可以通过1-乙酰基-吲哚-3(2H)-酮与稳定的膦鎓盐的维蒂希反应方便地制备。
• [EN] NOVEL COMPOUNDS<br/>[FR] NOUVEAUX COMPOSÉS
  申请人：AC IMMUNE SA

  公开号：WO2022078971A1

  公开（公告）日：2022-04-21

  The present invention relates to novel compounds that can be employed in the treatment, alleviation or prevention of a group of diseases, disorders and or abnormality associated with misfolding of Tau protein and/or pathological aggregation of Tau (Tubulin associated unit) protein including, but not limited to, Neurofibrillary Tangles (NFTs), such as Alzheimer's disease (AD). The present invention also relates to processes for the preparation of said compounds, pharmaceutical compositions comprising said compounds, methods using said compounds, combinations comprising said compounds, medicaments containing them, and their uses in diseases, disorders and/or abnormalities associated with misfolding of Tau protein and/or pathological aggregation of Tau (Tubulin associated unit) protein.

  本发明涉及一类新化合物，可用于治疗、缓解或预防一组与Tau蛋白误折叠和/或Tau（微管相关单元）蛋白的病理聚集有关的疾病、疾病和/或异常，包括但不限于神经纤维缠结（NFT），如阿尔茨海默病（AD）。本发明还涉及制备所述化合物的方法，包括所述化合物的制药组合物，使用所述化合物的方法，包括所述化合物的组合物，含有它们的药物以及它们在与Tau蛋白误折叠和/或Tau（微管相关单元）蛋白的病理聚集有关的疾病、疾病和/或异常中的用途。
• Electrosynthesis of fluorinated indole derivatives
  作者：Bin Yin、Laihao Wang、Shinsuke Inagi、Toshio Fuchigami

  DOI：10.1016/j.tet.2010.06.063

  日期：2010.8

  Anodic fluorination of various N-acetyl-3-substituted indole derivatives was successfully carried out in Et(4)NF-4HF/MeCN to provide the corresponding trans-2,3-difluoro-2,3-dihydroindoles exclusively or selectively. Treatment of difluorinated products with a base provided monofluoroindole derivatives or monofluoroindoline derivative depending on the substituents at the 3-position. (C) 2010 Elsevier Ltd. All rights reserved.
• Brown et al., Journal of the Chemical Society, 1952, p. 3172,3175
  作者：Brown et al.

  DOI：——

  日期：——