3-butyl-5-chloro-1-methyl-1H-indole | 1450610-64-6

• 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: 3-butyl-5-chloro-1-methyl-1H-indole
• 英文别名: 3-Butyl-5-chloro-1-methylindole；3-butyl-5-chloro-1-methylindole
• CAS: 1450610-64-6
• 化学式: C₁₃H₁₆ClN
• 分子量: 221.73
• InChiKey: CQPOMZPZXAQJQD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 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：

  (4-氯-2-碘苯基)甲胺 、 正己醛 在 [(4-(N,N-二甲氨基)苯基]二叔丁基膦 、 palladium dichloride 、 cesium acetate 作用下， 以 1,4-二氧六环 为溶剂， 反应 0.84h， 以64%的产率得到3-butyl-5-chloro-1-methyl-1H-indole
  参考文献：
  名称：

  A facile access to substituted indoles utilizing palladium catalyzed annulation under microwave enhanced conditions

  摘要：

  A facile access to differently substituted indoles using palladium catalyzed annulation reactions under microwave enhanced conditions has been achieved. A highly active and efficient catalytic system PdCl2/(A-taphos) for the synthesis of indole via palladium catalyzed ring annulation of ortho iodo anilines and aldehydes has been developed. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.07.073

文献信息

• ARYLOXYETHYLAMINE DERIVATIVES WITH A COMBINATION OF PARTIAL DOPAMINE-D2 RECEPTOR AGONISM AND SEROTONIN REUPTAKE INHIBITION
  申请人：Solvay Pharmaceuticals B.V.

  公开号：EP1827427B1

  公开（公告）日：2008-07-23
• A facile access to substituted indoles utilizing palladium catalyzed annulation under microwave enhanced conditions
  作者：Ranjith P. Karuvalam、Karickal R. Haridas、Ayyiliath M. Sajith、Arayambath Muralidharan

  DOI：10.1016/j.tetlet.2013.07.073

  日期：2013.9

  A facile access to differently substituted indoles using palladium catalyzed annulation reactions under microwave enhanced conditions has been achieved. A highly active and efficient catalytic system PdCl2/(A-taphos) for the synthesis of indole via palladium catalyzed ring annulation of ortho iodo anilines and aldehydes has been developed. (C) 2013 Elsevier Ltd. All rights reserved.