C6H4-1-(OH)-3-(CH=NC6H2-2,4,6-Me3) | 1225022-20-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: C6H4-1-(OH)-3-(CH=NC6H2-2,4,6-Me3)
• CAS: 1225022-20-7
• 化学式: C₁₆H₁₇NO
• 分子量: 239.317
• InChiKey: QTELEIUKTCRULS-LICLKQGHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.07
• 重原子数：
  18.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  32.59
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  间羟基苯甲醛 、 2,4,6-三甲基苯胺 以 二氯甲烷 为溶剂， 反应 24.0h， 以94%的产率得到C6H4-1-(OH)-3-(CH=NC6H2-2,4,6-Me3)
  参考文献：
  名称：

  Buchwald–Hartwig C–N cross coupling reactions catalyzed by a pseudo-pincer Pd(II) compound

  摘要：

  The reaction of the imino compound [C6H4-1-(OH)-3-(CH=NC6H2-2,4,6-Me-3)] (1)with [Pd(COD)Cl-2] affords in good yields the cyclometalated product [PdCl(H2NC6H2-2,4,6-Me-3){C6H3-2-(O-H)-6-(CH=NC6H2-2,4,6-Me-3)}](2), both species being unequivocally identified by single crystal X-ray structure analysis. Careful analysis of both structures in the solid state reveals the presence of important hydrogen bond interactions, leading in the case of the Pd(II)derivative to the formation of a pseudo-pincer/non-covalent pincer compound [PdCl(H2NC6H2-2,4,6-Me-3){C6H3-2-(O-H)-6-(CH=NC6H2-2,4,6-Me-3)}] (2). The catalytic activity of this species was examined in Buchwald-Hartwig C-N cross coupling of morpholine with a series of p-substituted bromo-benzenes. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2010.01.023