2',4,5',7-tetra-tert-butyl-3'-hydroxy-3a,7a-dihydrospiro(benzo-1,3-dioxol-2,1'-cyclohexa[2,5]diene)-4'-one | 93378-36-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡喃
• 英文名称: 2',4,5',7-tetra-tert-butyl-3'-hydroxy-3a,7a-dihydrospiro(benzo-1,3-dioxol-2,1'-cyclohexa[2,5]diene)-4'-one
• 英文别名: 2',4,5',7-tetra-tert-butyl-3'-hydroxy-4'H-spiro[1,3-benzodioxole-2,1'-cyclohexa[2,5]dien]-4'-one；3,6-di-tert-butyl-5-hydroxy-3,6-di-tert-butyl-p-benzophenone 1,2-phenylene acetal；3',4,6',7-tetratert-butyl-2'-hydroxyspiro[1,3-benzodioxole-2,4'-cyclohexa-2,5-diene]-1'-one
• CAS: 93378-36-0
• 化学式: C₂₈H₄₀O₄
• 分子量: 440.623
• InChiKey: GYUGSJKZJUYVBX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.16
• 重原子数：
  32.0
• 可旋转键数：
  0.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  55.76
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  3,6-di-tert-butylbenzene-1,2-diol 在 sodium hydroxide 、 四丁基溴化铵 作用下， 以 四氯化碳 为溶剂， 以20%的产率得到2',4,5',7-tetra-tert-butyl-3'-hydroxy-3a,7a-dihydrospiro(benzo-1,3-dioxol-2,1'-cyclohexa[2,5]diene)-4'-one
  参考文献：
  名称：

  Ortho-esters based on 3, 6-di-tertbutylpyrocatechol

  摘要：

  DOI：

  10.1007/bf00956536

文献信息

• Heterospin biradicals based on new piperidineoxyl-substituted 3,6-di-tert-butyl-o-benzoquinone
  作者：E. N. Egorova、N. O. Druzhkov、K. A. Kozhanov、A. V. Cherkasov、V. K. Cherkasov

  DOI：10.1007/s11172-017-1934-1

  日期：2017.9

  thallium is an efficient method for the generation of earlier unknown heterospin biradicals 5a and 5b, respectively, containing nitroxide and o-semiquinone radical centers. Analysis of the hyperfine structure of the ESR spectra of biradicals 5a and 5b in solution showed that they belong to the group of heterospin biradicals with strong (J >> a) and fast exchange interaction between the radical centers

  4-羟基-2,2,6,6-四甲基哌啶-1-氧基（OH-TEMPO）与3,6-二叔丁基-邻苯醌的亲核加成反应用于获得新的空间位阻邻苯醌-苯醌(1)含有2,2,6,6-四甲基哌啶氧基官能团，经红外光谱、质谱、元素分析和X射线衍射表征。用钾和铊对 1 进行单电子还原是一种有效的方法，可用于生成早期未知的异自旋双自由基 5a 和 5b，分别含有氮氧化合物和邻半醌自由基中心。对溶液中双自由基 5a 和 5b 的 ESR 光谱超精细结构的分析表明，它们属于具有强（J >> a）和自由基中心之间快速交换相互作用的异自旋双自由基。
• Alkoxylation of 3,6-di-tert-butyl-1,2-benzoquinone. New bis-1,2-benzoquinones
  作者：M. P. Shurygina、N. O. Druzhkov、M. V. Arsen’ev、M. P. Bubnov、G. K. Fukin、S. A. Chesnokov、V. K. Cherkasov

  DOI：10.1134/s1070428011040038

  日期：2011.4

  Alkoxylation of 3,6-di-tert-butyl-1,2-benzoquinone with a number of diols, including propane-1,3-diol, butane-1,4-diol, di-, and triethylene glycols, and cyclohexane-1,4-diyldimethanol, was studied. Nine new 4-alkoxy-3,6-di-tert-butyl-1,2-benzoquinones were synthesized, four of which were bis-1,2-benzoquinones with different tethers (6-13 atoms) between the quinone fragments. Depending on the length of the chain between the hydroxy groups in glycols, bicyclic 4,5-disubstituted 3,6-di-tert-butyl-1,2-benzoquinones were formed or their stepwise alkoxylation occurred. The newly synthesized o-benzoquinone derivatives can be reduced with alkali metals to give radical anions and converted into semiquinone chelates with manganese carbonyl.
• Kinetics and mechanism of the reaction of ozone with 3,6-di-tert-butylpyrocatechol
  作者：M. L. Konstantinova、V. B. Vol'eva、S. D. Razumovskii

  DOI：10.1007/bf00866604

  日期：1992.6

  The reaction of ozone with 3,6-di-tert-butylpyrocatechol at approximately 20-degrees-C was investigated, and it was found that the main reaction product was 3,6-di-tert-butylquinone, while the reaction rate was proportional to the concentrations of the reagents. A reaction scheme explaining the mechanism of formation of the main and side products is proposed.
• VOLEVA, V. B.;PROKOFEVA, T. I.;NOVIKOVA, I. A.;BELOSTOTSKAYA, I. S.;ERSHO+, IZV. AN CCCP. CEP. XIM., 1984, N 7, 1632-1635
  作者：VOLEVA, V. B.、PROKOFEVA, T. I.、NOVIKOVA, I. A.、BELOSTOTSKAYA, I. S.、ERSHO+

  DOI：——

  日期：——