2-(3,3-dimethylbutyl)-6-isopropylpyridine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 2-(3,3-dimethylbutyl)-6-isopropylpyridine
• 英文别名: 2-(3,3-Dimethylbutyl)-6-propan-2-ylpyridine；2-(3,3-dimethylbutyl)-6-propan-2-ylpyridine
• 化学式: C₁₄H₂₃N
• 分子量: 205.343
• InChiKey: PVBYZIRAWQKTGC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.64
• 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：

  2-异丙基吡啶 、 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 14.0h， 以83%的产率得到2-(3,3-dimethylbutyl)-6-isopropylpyridine
  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

• [EN] HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS<br/>[FR] HYDANTOÏNE CONTENANT DES INHIBITEURS DE LA DÉSOXYURIDINE TRIPHOSPHATASE
  申请人：CV6 THERAPEUTICS NI LTD

  公开号：WO2018098207A1

  公开（公告）日：2018-05-31

  Provided herein are dUTPase inhibitors, compositions comprising such compounds and methods of using such compounds and compositions.

  本文提供了dUTPase抑制剂，包括这类化合物的组合物以及使用这类化合物和组合物的方法。
• 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.