benzyl-{4-[2-(4-tert-butylphenyl)ethyl]pyrimidin-2-yl}amine | 1206484-69-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: benzyl-{4-[2-(4-tert-butylphenyl)ethyl]pyrimidin-2-yl}amine
• 英文别名: N-benzyl-4-[2-(4-tert-butylphenyl)ethyl]pyrimidin-2-amine
• CAS: 1206484-69-6
• 化学式: C₂₃H₂₇N₃
• 分子量: 345.487
• InChiKey: NVMVVBAUPMCRKV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  26
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  37.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  N-benzyl-(4-methylpyrimidin-2-yl)amine 、 4-叔丁基苄醇 在 bis(1,5-cyclooctadiene)diiridium(I) dichloride 、 Py2NPiPr2 、 potassium tert-butylate 作用下， 以 四氢呋喃 、 二乙二醇二甲醚 为溶剂， 反应 24.0h， 以91%的产率得到benzyl-{4-[2-(4-tert-butylphenyl)ethyl]pyrimidin-2-yl}amine
  参考文献：
  名称：

  Catalytic Alkylation of Methyl-N-Heteroaromatics with Alcohols

  摘要：

  A novel Catalytic C-C coupling reaction in which N-heteroaromatic-substituted methyl groups are efficiently alkylated using, primary alcohols is introduced. The synthesis protocol is based on iridium catalysts and most likely relies on the "borrowing hydrogen" or "hydrogen autotransfer" mechanism. A variety Of substrate combinations can readily be employed in this reaction, including pyrimidines, pyridazines, and even fairly activated 2- and 4-picolines.

  DOI：

  10.1021/ja9095413

文献信息

• Catalytic Alkylation of Methyl-<i>N</i>-Heteroaromatics with Alcohols
  作者：Benoît Blank、Rhett Kempe

  DOI：10.1021/ja9095413

  日期：2010.1.27

  A novel Catalytic C-C coupling reaction in which N-heteroaromatic-substituted methyl groups are efficiently alkylated using, primary alcohols is introduced. The synthesis protocol is based on iridium catalysts and most likely relies on the "borrowing hydrogen" or "hydrogen autotransfer" mechanism. A variety Of substrate combinations can readily be employed in this reaction, including pyrimidines, pyridazines, and even fairly activated 2- and 4-picolines.