5,5'-dibromo-1,1'-dipropyl-1H,1'H-2,3'-biindole-3-carbonitrile | 1367828-79-2

• 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: 5,5'-dibromo-1,1'-dipropyl-1H,1'H-2,3'-biindole-3-carbonitrile
• 英文别名: 5-Bromo-2-(5-bromo-1-propylindol-3-yl)-1-propylindole-3-carbonitrile；5-bromo-2-(5-bromo-1-propylindol-3-yl)-1-propylindole-3-carbonitrile
• CAS: 1367828-79-2
• 化学式: C₂₃H₂₁Br₂N₃
• 分子量: 499.248
• InChiKey: MZOXZQNIPAOOBG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  33.6
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  potassiumhexacyanoferrate(II) trihydrate 、 5-bromo-1-propyl-1H-indole 在 copper diacetate 、 palladium diacetate 作用下， 以 二甲基亚砜 为溶剂， 反应 24.0h， 以66%的产率得到5,5'-dibromo-1,1'-dipropyl-1H,1'H-2,3'-biindole-3-carbonitrile
  参考文献：
  名称：

  A palladium-catalyzed one-pot procedure for the regioselective dimerization and cyanation of indoles

  摘要：

  A one-pot method for the regioselective dimerization and cyanation of indoles has been developed. The reaction uses safe and nontoxic K-4[Fe(CN)(6)]center dot 3H(2)O as the cyanating agent which introduces selectively a cyano group into the 3-position of biindoles with high efficiency. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.01.129

文献信息

• A palladium-catalyzed one-pot procedure for the regioselective dimerization and cyanation of indoles
  作者：Ebrahim Kianmehr、Mohammad Ghanbari、Nasser Faghih、Frank Rominger

  DOI：10.1016/j.tetlet.2012.01.129

  日期：2012.4

  A one-pot method for the regioselective dimerization and cyanation of indoles has been developed. The reaction uses safe and nontoxic K-4[Fe(CN)(6)]center dot 3H(2)O as the cyanating agent which introduces selectively a cyano group into the 3-position of biindoles with high efficiency. (C) 2012 Elsevier Ltd. All rights reserved.