2,2,5,5,-tetramethyl-4-[2-oxo-2-(2,2,5,5-tetramethyl-1-oxyl-3-imidazolin-4-yl)ethylidene]imidazolidin-1-oxyl | 371753-21-8

• 分子结构分类: 有机化合物
• 英文名称: 2,2,5,5,-tetramethyl-4-[2-oxo-2-(2,2,5,5-tetramethyl-1-oxyl-3-imidazolin-4-yl)ethylidene]imidazolidin-1-oxyl
• 英文别名: 1-(2,2,5,5-tetramethyl-2,5-dihydro-1H-imidazol-4-yl-1-oxyl)-2-(2,2,5,5-tetramethyl-1-oxylimidazolidin-4-ylidene)ethanone
• CAS: 371753-21-8
• 化学式: C₁₆H₂₆N₄O₃
• 分子量: 322.407
• InChiKey: BNXRUMLZZKVWSK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.82
• 重原子数：
  23.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  87.74
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  2,2,5,5,-tetramethyl-4-[2-oxo-2-(2,2,5,5-tetramethyl-1-oxyl-3-imidazolin-4-yl)ethylidene]imidazolidin-1-oxyl 在 N-氯代丁二酰亚胺 、 sodium azide 作用下， 以 氯仿 、 二甲基亚砜 为溶剂， 反应 0.17h， 生成
  参考文献：
  名称：

  摘要：

  The reaction of 4-(2R-1-chloro-2-oxoethylidene) -substituted imidazolidine-1-oxyl with sodium azide gives monoimines of alpha -diketones, derivatives of 3-imidazoline nitroxides. Reactions of these products with nitrogen binucleophiles were used to prepare various heterocyclic compounds containing an imidazoline nitroxide moiety.

  DOI：

  10.1023/a:1011319528481
• 作为产物：
  描述：

  1-羟基-2,2,4,5,5-五甲基-3-咪唑啉 、 2,2,5,5-Tetramethyl-4-methoxycarbonyl-3-imidazolin-1-oxyl 在 lithium diisopropyl amide 、 manganese(IV) oxide 作用下， 以 乙醚 、 氯仿 为溶剂， 反应 0.58h， 以75%的产率得到2,2,5,5,-tetramethyl-4-[2-oxo-2-(2,2,5,5-tetramethyl-1-oxyl-3-imidazolin-4-yl)ethylidene]imidazolidin-1-oxyl
  参考文献：
  名称：

  摘要：

  The reactions of the dianion generated from 1-hydroxy-2,2,4,5,5-pentamethyl-2,5-dihydro-1H-imidazole under the action of lithium diisopropylamide with nitroxyl radicals derived from 2,5-dihydro-1H-imidazole or 2,5-dihydro-1H-imidazole 3-oxide and containing the ester, aldehydo, cyano, or imino groups afforded biradicals, including those containing the enamino ketone and enamino imine functions. The reactions of this dianion with nitriles derived from 2,5-dihydro-1H-imidazole 3-oxide gave rise to all enamino nitrile, i.e., electrophilic cyanation formally occurred.

  DOI：

  10.1023/a:1011364929195