2-[1-(2,6-dimethylphenylimino)methyl]-6-[1-(2,6-diisopropylphenylimino)methyl]pyridine | 1292296-50-4

• 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: 2-[1-(2,6-dimethylphenylimino)methyl]-6-[1-(2,6-diisopropylphenylimino)methyl]pyridine
• 英文别名: N-(2,6-dimethylphenyl)-1-[6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]pyridin-2-yl]methanimine
• CAS: 1292296-50-4
• 化学式: C₂₇H₃₁N₃
• 分子量: 397.563
• InChiKey: IWGBYIKDOXNGRT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  30
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  37.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  在 吡啶 作用下， 反应 144.0h， 以32%的产率得到2-[1-(2,6-dimethylphenylimino)methyl]-6-[1-(2,6-diisopropylphenylimino)methyl]pyridine
  参考文献：
  名称：

  Atom-Economical Route to Substituted Pyridines via a Scandium Imide

  摘要：

  Taking advantage of a tautomerization process between (PNP)Sc=N(DIPP)(NC5H5) (PNP = N[2-P(CHMe2)(2)-4-methylphenyl](2)(-), DIPP = 2,6-iPr(2)C(6)H(3)) and (PNP)Sc(NH-(DIPP))(eta(2)-NC5H4) (1), we demonstrate in this work that pyridine can be both activated and functionalized with isonitriles (in one case catalytically) to ultimately afford mono- and bis-imino-substituted pyridines. Several intermediates in the cycle have been isolated and characterized.

  DOI：

  10.1021/om2001537