1-cyclohexylmethyl-2-methyl-1H-indole | 1426915-56-1

• 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-cyclohexylmethyl-2-methyl-1H-indole
• 英文别名: 1-(Cyclohexylmethyl)-2-methylindole
• CAS: 1426915-56-1
• 化学式: C₁₆H₂₁N
• 分子量: 227.349
• InChiKey: ALJSASDGTULYKL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  4.9
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  在 copper(l) iodide 、 K₃PO₄ 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以92 mg的产率得到1-cyclohexylmethyl-2-methyl-1H-indole
  参考文献：
  名称：

  Indoles Synthesized from Amines via Copper Catalysis

  摘要：

  N-Substituted indoles are synthesized from primary amines through a tandem reaction sequence. Initial condensation of the amine with an alpha-(o-haloaryl)ketone or aldehyde is followed by intramolecular aryl amination catalyzed by CuI. A variety of anilines and alkyl amines, including those with significant steric demands, are converted to indoles in high yields and with varying indole substitution.

  DOI：

  10.1021/ol400444g

文献信息

• NOVEL INDOLE DERIVATIVE COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME
  申请人：CHONG KUN DANG PHARMACEUTICAL CORP.

  公开号：US20160355475A1

  公开（公告）日：2016-12-08

  The present invention provides a novel indole derivative compound, an isomer thereof, a pharmaceutically acceptable salt thereof, or a hydrate or solvate thereof. The compound according to the present invention can selectively inhibit histone deacetylase (HDAC), and thus can be used to effectively treat a disease associated with histone deacetylase (HDAC) activity.
• Indoles Synthesized from Amines via Copper Catalysis
  作者：Ronald Besandre、Miguel Jaimes、Jeremy A. May

  DOI：10.1021/ol400444g

  日期：2013.4.5

  N-Substituted indoles are synthesized from primary amines through a tandem reaction sequence. Initial condensation of the amine with an alpha-(o-haloaryl)ketone or aldehyde is followed by intramolecular aryl amination catalyzed by CuI. A variety of anilines and alkyl amines, including those with significant steric demands, are converted to indoles in high yields and with varying indole substitution.