2-(3-((2,6-bis(4,4-dimethyl-4,5-dihydrooxazol-2-yl)pyridin-4-yl)oxy)propyl)-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione | 1196894-84-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-(3-((2,6-bis(4,4-dimethyl-4,5-dihydrooxazol-2-yl)pyridin-4-yl)oxy)propyl)-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
• CAS: 1196894-84-4
• 化学式: C₂₆H₃₀N₄O₆
• 分子量: 494.547
• InChiKey: RHISIHDRKMBHAD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  36.0
• 可旋转键数：
  7.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  111.91
• 氢给体数：
  0.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  2-(3-((2,6-bis(4,4-dimethyl-4,5-dihydrooxazol-2-yl)pyridin-4-yl)oxy)propyl)-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione 以 甲苯 为溶剂， 反应 12.0h， 以99%的产率得到Mal-TMpybox
  参考文献：
  名称：

  Ionic probe attachment ionization mass spectrometry

  摘要：

  A new ionization method that uses metal-complex-based ionization probes containing the 2,6-bis(oxazolinyl)pyridine (pybox) ligand is presented. This method was proven to effectively ionize large complex molecules, including biomolecules. The preparation of the charged probes and their application to the ionization of biomolecules using cold-spray ionization mass spectrometry are shown. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.09.021
• 作为产物：
  描述：

  2,6-bis(4,4-dimethyl-5H-1,3-oxazol-2-yl)-1H-pyridin-4-one 、 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 20.0h， 以96%的产率得到2-(3-((2,6-bis(4,4-dimethyl-4,5-dihydrooxazol-2-yl)pyridin-4-yl)oxy)propyl)-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
  参考文献：
  名称：

  Ionic probe attachment ionization mass spectrometry

  摘要：

  A new ionization method that uses metal-complex-based ionization probes containing the 2,6-bis(oxazolinyl)pyridine (pybox) ligand is presented. This method was proven to effectively ionize large complex molecules, including biomolecules. The preparation of the charged probes and their application to the ionization of biomolecules using cold-spray ionization mass spectrometry are shown. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.09.021