2-(2-Cyclohexyl-6-methylphenyl)-4-methylpyridine | 1430420-17-9

• 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-(2-Cyclohexyl-6-methylphenyl)-4-methylpyridine
• 英文别名: 2-(2-cyclohexyl-6-methylphenyl)-4-methylpyridine
• CAS: 1430420-17-9
• 化学式: C₁₉H₂₃N
• 分子量: 265.398
• InChiKey: NLHZVBCSOPYYEI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.42
• 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：

  4-甲基-2-(2-甲基苯基)吡啶 、 环己基三氟硼酸钾 在 manganese(III) fluoride 、 palladium diacetate 作用下， 以 2,2,2-三氟乙醇 、 水 、 溶剂黄146 为溶剂， 反应 6.0h， 以25%的产率得到2-(2-Cyclohexyl-6-methylphenyl)-4-methylpyridine
  参考文献：
  名称：

  Mild Palladium-Catalyzed C–H Alkylation Using Potassium Alkyltrifluoroborates in Combination with MnF₃

  摘要：

  A Pd-catalyzed method for ligand-directed C-H alkylation with organoboron reagents is described. The combination of potassium organo-trifluoroborates, MnF3, and a Pd-II catalyst effects pyridine and amide-directed C-H alkylation. These reactions proceed under mild conditions (25-40 degrees C in weakly acidic media), are effective for installing methyl and 1 degrees alkyl groups, and do not require promoters such as benzoquinone.

  DOI：

  10.1021/ol400888r

文献信息

• Mild Palladium-Catalyzed C–H Alkylation Using Potassium Alkyltrifluoroborates in Combination with MnF₃
  作者：Sharon R. Neufeldt、Cydney K. Seigerman、Melanie S. Sanford

  DOI：10.1021/ol400888r

  日期：2013.5.3

  A Pd-catalyzed method for ligand-directed C-H alkylation with organoboron reagents is described. The combination of potassium organo-trifluoroborates, MnF3, and a Pd-II catalyst effects pyridine and amide-directed C-H alkylation. These reactions proceed under mild conditions (25-40 degrees C in weakly acidic media), are effective for installing methyl and 1 degrees alkyl groups, and do not require promoters such as benzoquinone.