3'MePyOINDH | 1247877-56-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: 3'MePyOINDH
• 英文别名: 3-(3'-methyl-2'-pyridylimino)isoindoline-1-one
• CAS: 1247877-56-0
• 化学式: C₁₄H₁₁N₃O
• 分子量: 237.261
• InChiKey: ABXNFDXMCFSXKK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.21
• 重原子数：
  18.0
• 可旋转键数：
  1.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  54.35
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  2-氨基-6-甲基吡啶 、 3-亚氨基异吲哚啉酮 以 乙醇 为溶剂， 反应 24.0h， 以31%的产率得到3'MePyOINDH
  参考文献：
  名称：

  Dual activation process in a copper(II)oxoisoindoline-catalyzed catechol oxidation

  摘要：

  The mononuclear [Cu(3'MePyOIND)(2)] (3'MePyOINDH: 3-(3'-methyl-2'-pyridylimino)isoindoline-1-one) complex has been prepared and characterized by various techniques such as elemental analysis, IR, UV-vis and ESR spectroscopy. The title compound was suitable as catalyst for the catalytic oxidation of 3.5-di-tert-butylcatechol (3,5-DTBC-H(2)) to 3,5-di-tert-butyl-1,2-benzoquinone (3,5-DTBQ) (catecholase activity) with dioxygen at ambient condition in good yields. Kinetic measurements revealed first-order dependence on the catalyst and dioxygen concentration and saturation type behavior with respect to the corresponding substrate. It was also found that the complex shows dual effects, acts as a base deprotonating 3,5-DTBC-H(2) and also as a redox catalyst, activating O(2) during the oxidation reaction. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molcata.2010.06.020