1-(2,6,6-trimethylcyclohexen-1-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole | 1612226-09-1

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 哈马拉生物碱
• 英文名称: 1-(2,6,6-trimethylcyclohexen-1-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
• CAS: 1612226-09-1
• 化学式: C₂₀H₂₆N₂
• 分子量: 294.44
• InChiKey: XFQLPUYNMZDLTB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  22
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  27.8
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  色胺 、 1-吡咯烷羧酸,3-[[(3-溴苯基)氨基]甲基]-,1,1-二甲基乙基酯 在 choline chloride–urea 作用下， 反应 2.0h， 以92%的产率得到1-(2,6,6-trimethylcyclohexen-1-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
  参考文献：
  名称：

  An acid-free Pictet–Spengler reaction using deep eutectic solvents (DES)

  摘要：

  Deep eutectic solvents (such as the combination of either urea or glycerol with choline chloride) are effective solvents/organocatalysts for Pictet-Spengler condensations to form carbolines. The reaction conditions are quite mild and do not require additional Bronsted or Lewis acid catalyst. Given the inexpensive, non-toxic, and recyclable nature of the DES, these reaction conditions are simple and highly environmentally friendly. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2014.04.077

文献信息

• An acid-free Pictet–Spengler reaction using deep eutectic solvents (DES)
  作者：Scott Handy、Matthew Wright

  DOI：10.1016/j.tetlet.2014.04.077

  日期：2014.6

  Deep eutectic solvents (such as the combination of either urea or glycerol with choline chloride) are effective solvents/organocatalysts for Pictet-Spengler condensations to form carbolines. The reaction conditions are quite mild and do not require additional Bronsted or Lewis acid catalyst. Given the inexpensive, non-toxic, and recyclable nature of the DES, these reaction conditions are simple and highly environmentally friendly. (C) 2014 Elsevier Ltd. All rights reserved.