potassium β-[3,5-di(tert-butyl)-4-hydroxyphenyl]propionate | 86860-74-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 苯丙酸
• 英文名称: potassium β-[3,5-di(tert-butyl)-4-hydroxyphenyl]propionate
• 英文别名: potassium β-(4-hydroxy-3,5-di-t-butylphenyl)propionate；phenoxan；Potassium 3-(3',5'-di-t-butyl-4'-hydroxyphenyl)-propionate；potassium;3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
• CAS: 86860-74-4
• 化学式: C₁₇H₂₅O₃*K
• 分子量: 316.482
• InChiKey: SAMISQILSPSFNS-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.33
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  60.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  potassium β-[3,5-di(tert-butyl)-4-hydroxyphenyl]propionate 、 以 1,4-二氧六环 、 水 为溶剂， 生成 、 sodium;4-(N-(2,4,6-trinitroanilino)anilino)benzenesulfonate
  参考文献：
  名称：

  Hybrid macromolecular antioxidants based on hydrophilic polymers and sterically hindered phenols

  摘要：

  一种新型生物活性物质应运而生。它们是混合大分子抗氧化剂（HMAO），基于亲水性聚合物和具有不同结构参数的化学接枝立体受阻酚。在与 2,2-二苯基-1-苦基肼和相应的磺酸钠在不同溶剂中发生反应时，对 HMAO 的抗自由基活性进行了评估。提出了 HMAO 在水中活性大幅增强的机理。通过粘度测量法和光子相关光谱法研究了 HMAO 在溶液中的状态。在生物模型中对 HMAO 进行了检测。

  DOI：

  10.1007/s11172-007-0117-x
• 作为产物：
  描述：

  2,6-二叔丁基苯酚 、 丙烯酸甲酯（MA） 在 甲醇 、 水 、 2,6-二-叔-丁基苯酚钾 作用下， 生成 2,6-二叔丁基-4-甲基苯酚 、 potassium β-[3,5-di(tert-butyl)-4-hydroxyphenyl]propionate 、 3-(3,5-二叔丁基-4-羟基苯基)丙酸甲酯
  参考文献：
  名称：

  Kinetics of the reaction of 2,6-si-t-butylphenol with methyl acrylate in the presence of potassium 2,6-di-t-butylphenolate and the effect of proton-donor components on the mechanism of this reaction

  摘要：

  A kinetic scheme is proposed for the reaction of 2,6-di-t-butylphenol with methyl acrylate in the presence of potassium 2,6-di-t-butylphenolate. Rate constants have been calculated for the elementary stages which describe the mechanism of catalysis and the effect on the kinetic laws of the proton-donor components 2,6-di-t-butylphenol, water, and methanol. The kinetic scheme contains 30 components and includes 62 rate constants for the elementary stages, which were calculated by mathematical modeling of the kinetics of the process. The calculated results are compared with experimental data for the dependence of the rate of consumption of 2,6-di-t-butylphenol on the concentration of potassium 2,6-di-t-butylphenolate and on the concentrations of the proton-donor components.

  DOI：

  10.1007/bf00961342

文献信息

• VOLODKIN, A. A.;ZAJTSEV, A. S.;RUBAJLO, V. L.;BELYAKOV, V. A.;ZAIKOV, G. +, IZV. AN CCCP. CEP. XIM.,(1989) N, S. 1825-1835
  作者：VOLODKIN, A. A.、ZAJTSEV, A. S.、RUBAJLO, V. L.、BELYAKOV, V. A.、ZAIKOV, G. +

  DOI：——

  日期：——
• Kinetics of the reaction of 2,6-si-t-butylphenol with methyl acrylate in the presence of potassium 2,6-di-t-butylphenolate and the effect of proton-donor components on the mechanism of this reaction
  作者：A. A. Volod'kin

  DOI：10.1007/bf00961342

  日期：1991.5

  A kinetic scheme is proposed for the reaction of 2,6-di-t-butylphenol with methyl acrylate in the presence of potassium 2,6-di-t-butylphenolate. Rate constants have been calculated for the elementary stages which describe the mechanism of catalysis and the effect on the kinetic laws of the proton-donor components 2,6-di-t-butylphenol, water, and methanol. The kinetic scheme contains 30 components and includes 62 rate constants for the elementary stages, which were calculated by mathematical modeling of the kinetics of the process. The calculated results are compared with experimental data for the dependence of the rate of consumption of 2,6-di-t-butylphenol on the concentration of potassium 2,6-di-t-butylphenolate and on the concentrations of the proton-donor components.
• Hybrid macromolecular antioxidants based on hydrophilic polymers and sterically hindered phenols
  作者：D. V. Aref’ev、I. S. Belostotskaya、V. B. Vol’eva、N. S. Domnina、N. L. Komissarova、O. Yu. Sergeeva、R. S. Khrustaleva

  DOI：10.1007/s11172-007-0117-x

  日期：2007.4

  A novel class of biologically active substances was created. These are hybrid macromolecular antioxidants (HMAO) based on hydrophilic polymers with chemically grafted sterically hindered phenols with different structural parameters. The antiradical activities of HMAO were assessed in reactions with 2,2-diphenyl-1-picrylhydrazyl and the corresponding sodium sulfonate in various solvents. The mechanism that explains the substantially enhanced activities of HMAO in water was proposed. The state of HMAO in solutions was studied by viscosimetry and photon correlation spectroscopy. HMAO were assayed in biological models.

  一种新型生物活性物质应运而生。它们是混合大分子抗氧化剂（HMAO），基于亲水性聚合物和具有不同结构参数的化学接枝立体受阻酚。在与 2,2-二苯基-1-苦基肼和相应的磺酸钠在不同溶剂中发生反应时，对 HMAO 的抗自由基活性进行了评估。提出了 HMAO 在水中活性大幅增强的机理。通过粘度测量法和光子相关光谱法研究了 HMAO 在溶液中的状态。在生物模型中对 HMAO 进行了检测。