1-(1-ethoxyethoxy)-2,2,5,5-tetramethyl-4-{2-[4-(3-methyl-3-hydroxybutyn-1-yl)phenyl]vinyl}-3-imidazoline-3-oxide | 892397-87-4

• 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: 1-(1-ethoxyethoxy)-2,2,5,5-tetramethyl-4-{2-[4-(3-methyl-3-hydroxybutyn-1-yl)phenyl]vinyl}-3-imidazoline-3-oxide
• CAS: 892397-87-4
• 化学式: C₂₄H₃₄N₂O₄
• 分子量: 414.545
• InChiKey: UTDDRXYGTNXPHJ-CCEZHUSRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.92
• 重原子数：
  30.0
• 可旋转键数：
  6.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  68.0
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  1-(1-ethoxyethoxy)-2,2,5,5-tetramethyl-4-{2-[4-(3-methyl-3-hydroxybutyn-1-yl)phenyl]vinyl}-3-imidazoline-3-oxide 在 氢氧化钾 作用下， 以 甲苯 为溶剂， 反应 14.0h， 以62%的产率得到1-(1-ethoxyethoxy)-2,2,5,5-tetramethyl-4-[2-(4-ethynylphenyl)vinyl]-3-imidazoline-3-oxide
  参考文献：
  名称：

  Stable nitroxyl radicals with triple bonds: 4-acetylenyl-3-imidazoline-3-oxide-1-oxyls

  摘要：

  Cross-coupling reaction of 1-hydroxy-2,2,5,5-tetramethyl-4-[2-(p-iodophenyl)vinyl]1-3-imidazoline-3-oxide with copper(l) salts of 1-aryl(hetaryl)alkynes leads to the corresponding 2,2,5,5-tetramethyl-4-[2-(p-aryl(hetaryl)ethynylphenyl)vinyl]-3-imidazoline-3-oxide-1-oxyls in high yields. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2006.02.036
• 作为产物：
  描述：

  1-(1-ethoxyethoxy)-2,2,4,5,5-pentamethyl-3-imidazoline-3-oxide 在 bis-triphenylphosphine-palladium(II) chloride sodium hydroxide 、 copper(l) iodide 、 三乙胺 作用下， 以 甲醇 为溶剂， 生成 1-(1-ethoxyethoxy)-2,2,5,5-tetramethyl-4-{2-[4-(3-methyl-3-hydroxybutyn-1-yl)phenyl]vinyl}-3-imidazoline-3-oxide
  参考文献：
  名称：

  Stable nitroxyl radicals with triple bonds: 4-acetylenyl-3-imidazoline-3-oxide-1-oxyls

  摘要：

  Cross-coupling reaction of 1-hydroxy-2,2,5,5-tetramethyl-4-[2-(p-iodophenyl)vinyl]1-3-imidazoline-3-oxide with copper(l) salts of 1-aryl(hetaryl)alkynes leads to the corresponding 2,2,5,5-tetramethyl-4-[2-(p-aryl(hetaryl)ethynylphenyl)vinyl]-3-imidazoline-3-oxide-1-oxyls in high yields. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2006.02.036

文献信息

• Stable nitroxyl radicals with triple bonds: 4-acetylenyl-3-imidazoline-3-oxide-1-oxyls
  作者：Sergei F. Vasilevsky、Svetlana V. Klyatskaya、Olga L. Korovnikova、Svetlana A. Amitina、Dmitri V. Stass、Igor A. Grigor'ev、José Elguero

  DOI：10.1016/j.tet.2006.02.036

  日期：2006.5

  Cross-coupling reaction of 1-hydroxy-2,2,5,5-tetramethyl-4-[2-(p-iodophenyl)vinyl]1-3-imidazoline-3-oxide with copper(l) salts of 1-aryl(hetaryl)alkynes leads to the corresponding 2,2,5,5-tetramethyl-4-[2-(p-aryl(hetaryl)ethynylphenyl)vinyl]-3-imidazoline-3-oxide-1-oxyls in high yields. (c) 2006 Elsevier Ltd. All rights reserved.