4-methyl-3-trifluoroacetylindole | 79878-01-6

• 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: 4-methyl-3-trifluoroacetylindole
• 英文别名: 2,2,2-trifluoro-1-(4-methyl-1H-indol-3-yl)ethan-1-one；2,2,2-trifluoro-1-(4-methyl-1H-indol-3-yl)ethanone
• CAS: 79878-01-6
• 化学式: C₁₁H₈F₃NO
• mdl: MFCD24107294
• 分子量: 227.186
• InChiKey: AJYYCMYGIQUBSE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.181
• 拓扑面积：
  32.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-methyl-3-trifluoroacetylindole 在 sodium hydroxide 作用下， 生成 4-甲基吲哚-3-羧酸
  参考文献：
  名称：

  Design, synthesis, and biological activity of potent and selective inhibitors of mast cell tryptase

  摘要：

  A new series of novel mast cell tryptase inhibitors is reported, which features the use of an indole structure as the hydrophobic substituent on a m-benzylaminepiperidine template. The best members of this series display good in vitro activity and excellent selectivity against other serine proteases. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.04.002
• 作为产物：
  描述：

  4-甲基吲哚 、 三氟乙酸酐 以 N,N-二甲基甲酰胺 为溶剂， 生成 4-methyl-3-trifluoroacetylindole
  参考文献：
  名称：

  Design, synthesis, and biological activity of potent and selective inhibitors of mast cell tryptase

  摘要：

  A new series of novel mast cell tryptase inhibitors is reported, which features the use of an indole structure as the hydrophobic substituent on a m-benzylaminepiperidine template. The best members of this series display good in vitro activity and excellent selectivity against other serine proteases. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.04.002

文献信息

• Sunlight Induced and Alternative Sc(OTf)₃ Catalyzed Remote C−H Halogenation of Indoles
  作者：Shanshan Liu、Xianying Zhou、Lin‐Yu Jiao、Chao Li、Zheng Wang

  DOI：10.1002/chem.202300978

  日期：2023.6.27

  The remote C5-H halogenation has been achieved ether by natural light or catalytic Sc(OTf)3 under mild condition. Moreover, the cascade C6-H bromination and benzylic C−H oxidation under photocatalytic conditions was also discussed.

  利用自然光或催化Sc(OTf) 3在温和条件下实现了远程C5-H卤化。此外，还讨论了光催化条件下级联C6-H溴化和苄基CH氧化。
• Reaction of indoles with trifluoroacetic acid
  作者：A. N. Kost、V. A. Budylin、N. N. Romanova、E. D. Matveeva

  DOI：10.1007/bf00505598

  日期：1981.9
• KOST A. N.; BUDYLIN V. A.; POMAHOBA N. N.; MATVEEVA E. D., XIMIYA GETEROTSIKL. SOEDIN., 1981, HO 9, 1233-1235
  作者：KOST A. N.、 BUDYLIN V. A.、 POMAHOBA N. N.、 MATVEEVA E. D.

  DOI：——

  日期：——