3-(1-methoxycarbonyl-1-trifluoromethyl-2,2-dicyanoethyl)-1-methyl-2-phenylindole | 135578-19-7

• 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: 3-(1-methoxycarbonyl-1-trifluoromethyl-2,2-dicyanoethyl)-1-methyl-2-phenylindole
• 英文别名: Methyl 2-(dicyanomethyl)-3,3,3-trifluoro-2-(1-methyl-2-phenylindol-3-yl)propanoate
• CAS: 135578-19-7
• 化学式: C₂₂H₁₆F₃N₃O₂
• 分子量: 411.383
• InChiKey: HSYNKIRGXLIDRZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  30
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  78.8
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  1-甲基-2-苯基吲哚 、 methyl 3,3-dicyano-2-(trifluoromethyl)acrylate 以 氯仿 为溶剂， 反应 24.0h， 以50%的产率得到3-(1-methoxycarbonyl-1-trifluoromethyl-2,2-dicyanoethyl)-1-methyl-2-phenylindole
  参考文献：
  名称：

  C-alkylation of indoles by 1,1-bis(trifluoromethyl)-2,2-di-cyanoethylene and 2-trifluoromethyl-3,3-dicyanoacrylic acid esters

  摘要：

  Indole and its derivatives with various substituents in the 1 and 2 positions of the indole ring react with 1,1-bis(trifluoromethyl)-2,2-dicyanoethylene and 2-trifluoromethyl-3,3-dicyanoacrylic acid esters to give C3-alkylation products.

  DOI：

  10.1007/bf00961377

文献信息

• [EN] CANNABINOID TYPE 1 RECEPTOR MODULATORS<br/>[FR] MODULATEURS DU RÉCEPTEUR CANNABINOÏDE DE TYPE 1
  申请人：UNIV TORONTO

  公开号：WO2016029310A1

  公开（公告）日：2016-03-03

  The present disclosure relates to indole derivatives of the formula (I) which are cannabinoid type 1 receptor modulators and which are useful in the treatment of diseases in which modulation of the receptor is beneficial; to processes for their preparation; to pharmaceutical compositions comprising them; and to methods of using them.

  本公开涉及公式（I）的吲哚衍生物，这些衍生物是大麻素类型1受体调节剂，对于治疗需要调节受体的疾病是有益的；涉及它们的制备方法；包含它们的药物组合物；以及使用它们的方法。
• Cannabinoid type 1 receptor modulators
  申请人：The Governing Council of the University of Toronto

  公开号：US10377711B2

  公开（公告）日：2019-08-13

  The present disclosure relates to indole derivatives of the formula (I) which are cannabinoid type 1 receptor modulators and which are useful in the treatment of diseases in which modulation of the receptor is beneficial; to processes for their preparation; to pharmaceutical compositions comprising them; and to methods of using them.

  本公开涉及式（I）的吲哚衍生物，它们是大麻素 1 型受体调节剂，可用于治疗对调节受体有益的疾病；涉及它们的制备工艺；涉及包含它们的药物组合物；还涉及使用它们的方法。
• CHKANIKOV, N. D.;KOMAROV, K. V.;TYUTIN, V. YU.;KOLOMIETS, A. F.;FOKIN, A.+, IZV. AN CCCP. CEP. XIM.,(1991) N, S. 1193-1195
  作者：CHKANIKOV, N. D.、KOMAROV, K. V.、TYUTIN, V. YU.、KOLOMIETS, A. F.、FOKIN, A.+

  DOI：——

  日期：——
• CANNABINOID TYPE 1 RECEPTOR MODULATORS
  申请人：The Governing Council of the University of Toronto

  公开号：US20180118681A1

  公开（公告）日：2018-05-03

  The present disclosure relates to indole derivatives of the formula (I) which are cannabinoid type 1 receptor modulators and which are useful in the treatment of diseases in which modulation of the receptor is beneficial; to processes for their preparation; to pharmaceutical compositions comprising them; and to methods of using them.