2-(3,3-dimethylbutyl)quinoline | 7661-48-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 2-(3,3-dimethylbutyl)quinoline
• 英文别名: 2-(3,3-Dimethyl-butyl)-chinolin
• CAS: 7661-48-5
• 化学式: C₁₅H₁₉N
• 分子量: 213.323
• InChiKey: MLAVBDKETWNHEH-UHFFFAOYSA-N

物化性质

• 沸点：
  305.4±11.0 °C(Predicted)
• 密度：
  0.989±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  12.9
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  喹啉 、 3,3-二甲基-1-丁烯 在 [(cod)₂RhCl]₂ tricyclohexylphosphonium chloride 作用下， 以 四氢呋喃 为溶剂， 反应 9.5h， 以98%的产率得到2-(3,3-dimethylbutyl)quinoline
  参考文献：
  名称：

  Rh(I)-Catalyzed Alkylation of Quinolines and Pyridines via C−H Bond Activation

  摘要：

  The scope of heterocycle ortho-alkylation has been dramatically expanded to include pharmaceutically important pyridines and quinolines, which contain only a single nitrogen. The reactions, which are conducted at a high concentration (0.8 M), can be performed with catalyst loadings as low as 1% Rh. Substitution ortho to the heterocycle ring nitrogen is required for efficient alkylation and is consistent with the intermediacy of a Rh-carbene intermediate similar to those proposed in our earlier work.

  DOI：

  10.1021/ja070388z

文献信息

• SUBSTITUTED 2-MERCAPTOQUINOLINE-3-CARBOXAMIDES AS KCNQ2/3 MODULATORS
  申请人：KÜHNERT Sven

  公开号：US20100234372A1

  公开（公告）日：2010-09-16

  The invention relates to substituted 2-mercaptoquinoline-3-carboxamides, methods for the preparation thereof, medicaments containing these compounds and the use of these compounds for the preparation of medicaments.

  该发明涉及替代的2-巯基喹啉-3-羧酰胺，其制备方法，含有这些化合物的药物以及利用这些化合物制备药物的用途。
• Substituted 2-mercaptoquinoline-3-carboxamides as KCNQ2/3 modulators
  申请人：KÜHNERT Sven

  公开号：US20120252841A1

  公开（公告）日：2012-10-04

  The invention relates to substituted 2-mercaptoquinoline-3-carboxamides, methods for the preparation thereof, medicaments containing these compounds and the use of these compounds for the preparation of medicaments.

  本发明涉及取代的2-巯基喹啉-3-羧酰胺，其制备方法，含有这些化合物的药物以及这些化合物用于制备药物的用途。
• US8399673B2
  申请人：——

  公开号：US8399673B2

  公开（公告）日：2013-03-19
• Rh(I)-Catalyzed Alkylation of Quinolines and Pyridines via C−H Bond Activation
  作者：Jared C. Lewis、Robert G. Bergman、Jonathan A. Ellman

  DOI：10.1021/ja070388z

  日期：2007.5.1

  The scope of heterocycle ortho-alkylation has been dramatically expanded to include pharmaceutically important pyridines and quinolines, which contain only a single nitrogen. The reactions, which are conducted at a high concentration (0.8 M), can be performed with catalyst loadings as low as 1% Rh. Substitution ortho to the heterocycle ring nitrogen is required for efficient alkylation and is consistent with the intermediacy of a Rh-carbene intermediate similar to those proposed in our earlier work.