[3-(4-hydroxyphenyl)-2,2-dimethyl-1,4-diazaspiro[4.5]dec-3-en-1-yl]oxidanyl | 1569098-28-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: [3-(4-hydroxyphenyl)-2,2-dimethyl-1,4-diazaspiro[4.5]dec-3-en-1-yl]oxidanyl
• 英文别名: 3-(4-hydroxyphenyl)-2,2-dimethyl-1,4-diazaspiro[4.5]dec-3-en-1-oxyl
• CAS: 1569098-28-7
• 化学式: C₁₆H₂₁N₂O₂
• 分子量: 273.355
• InChiKey: PMFWUSFLWNTKOM-UHFFFAOYSA-N

物化性质

• 熔点：
  190 °C (decomp)

计算性质

• 辛醇/水分配系数(LogP)：
  3.28
• 重原子数：
  20.0
• 可旋转键数：
  1.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  55.73
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  [3-(4-hydroxyphenyl)-2,2-dimethyl-1,4-diazaspiro[4.5]dec-3-en-1-yl]oxidanyl 、 4-decyloxybenzoyl chloride 在 potassium tert-butylate 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 生成 (3-{4-[4-(decyloxy)benzoyloxy]phenyl}-2,2-dimethyl-1,4-diazaspiro[4.5]dec-3-en-1-yl)oxidanyl
  参考文献：
  名称：

  Spirocyclic 2,5-dihydro-1H-imidazole 1-oxyl radicals with a mesogenic substituent on C4. Synthesis and crystal structure

  摘要：

  Stable spirocyclic 2,5-dihydro-1H-imidazole 1-oxyl radicals containing a mesogenic fragment were synthesized on the basis of 1-[4-hydroxy(alkoxy)phenyl]-2-hydroxyamino-2-methylpropan-1-ones. The crystalline structure of two aminoxyl radicals was determined by X-ray analysis.

  DOI：

  10.1134/s107042801401014x
• 作为产物：
  描述：

  C₁₆H₂₂N₂O₂ 在 manganese(IV) oxide 作用下， 以 甲醇 为溶剂， 反应 2.0h， 以0.424 g的产率得到[3-(4-hydroxyphenyl)-2,2-dimethyl-1,4-diazaspiro[4.5]dec-3-en-1-yl]oxidanyl
  参考文献：
  名称：

  Spirocyclic 2,5-dihydro-1H-imidazole 1-oxyl radicals with a mesogenic substituent on C4. Synthesis and crystal structure

  摘要：

  Stable spirocyclic 2,5-dihydro-1H-imidazole 1-oxyl radicals containing a mesogenic fragment were synthesized on the basis of 1-[4-hydroxy(alkoxy)phenyl]-2-hydroxyamino-2-methylpropan-1-ones. The crystalline structure of two aminoxyl radicals was determined by X-ray analysis.

  DOI：

  10.1134/s107042801401014x

文献信息

• The synthesis of new functionalized 1,3,5-triazine-based stable bi- and trinitroxides of the 2,5-dihydroimidazole series
  作者：Elena V. Zaytseva、Yury V. Gatilov、Dmitrii G. Mazhukin

  DOI：10.24820/ark.5550190.p010.614

  日期：——

  New non-conjugated functionalized 2,5-dihydroimidazole-type biand trinitroxyl radicals are described. The synthesis of which was based on a nucleophilic substitution reaction between 2,4,6-trichloro-1,3,5-triazine or 2,4-dichloro-6-methoxy-1,3,5-triazine and spiro-fused 2,5-dihydroimidazole-type monoradicals bearing both a p-hydroxyaryl moiety at the C-4 atom of the heterocycle and a residue at the

  描述了新的非共轭官能化 2,5-二氢咪唑型双和三硝酰基自由基。其合成基于 2,4,6-三氯-1,3,5-三嗪或 2,4-二氯-6-甲氧基-1,3,5-三嗪与螺稠合 2 之间的亲核取代反应,5-二氢咪唑型单基团在杂环的 C-4 原子上带有一个对羟基芳基部分，在环己烷环的第四个位置上带有一个残基。具有未取代环己烷单元的模型三硝基氧化物在固态下具有结构特征。