2,6-di-tert-butylphenoxide anion | 52977-87-4

• 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: 2,6-di-tert-butylphenoxide anion
• 英文别名: 2,6-di-tert-butylphenolate；2,6-di-t-butyl-phenoxide；2,6-Ditert-butylphenolate
• CAS: 52977-87-4
• 化学式: C₁₄H₂₁O
• 分子量: 205.32
• InChiKey: DKCPKDPYUFEZCP-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  23.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  6-氯-3-氰基吡啶 、 2,6-di-tert-butylphenoxide anion 在 三氯化铝 作用下， 生成 4-(5-cyano-2-pyridyl)phenol
  参考文献：
  名称：

  不对称联芳基的选择性电化学和光化学合成及其非线性光学性质

  摘要：

  描述了基于电化学或光化学诱导的S RN 1反应的不对称取代的电子给体/电子受体联芳基的选择性合成；在溶液中确定各种反应产物的光学超极化率系数β，发现其与4-硝基苯胺具有相同的数量级。

  DOI：

  10.1039/c39880000203
• 作为产物：
  描述：

  在 sodium hydroxide 作用下， 生成 2,6-di-tert-butylphenoxide anion 、 丙烯酸甲酯（MA）
  参考文献：
  名称：

  摘要：

  The nature of the cation (K+ or Na+) in hydroxides affects the temperature plot of the equilibrium constant of the reaction of KOH and NaOH with 2,6-di-tert-butylphenol (ArOH) and the conversion of KOH and (or) NaOH to potassium or sodium 2,6-di-tert-butyl phenoxides, which are catalysts for the alkylation of ArOH by methyl acrylate. The kinetic method for determination of the composition of the catalyst formed from NaOH and ArOH was proposed. The nature of the cation in phenoxides ArOK or ArONa is a factor determining the kinetics of the reaction of ArOH with methyl acrylate. Two different kinetic schemes were proposed to describe the transformation of ArOH in the presence of ArONa or ArOK.

  DOI：

  10.1023/a:1022170915654
• 作为试剂：
  描述：

  三丁基硼 、 溴代硝基甲烷 在 2,6-di-tert-butylphenoxide anion 作用下， 以 四氢呋喃 为溶剂， 以57%的产率得到1-硝基戊烷
  参考文献：
  名称：

  溴硝基甲烷，一种通用的亲电试剂：与弱碱性亲核试剂的反应

  摘要：

  溴硝基甲烷在溴或碳上与弱碱性硫，磷和卤素亲核试剂反应；溴硝基甲烷的阴离子与三丁基硼反应生成1-硝基戊烷。

  DOI：

  10.1039/c39830000835

文献信息

• Mechanism of phenol oxidation by heterodinuclear Ni Cu bis(μ-oxo) complexes involving nucleophilic oxo groups
  作者：Subrata Kundu、Enrico Miceli、Erik R. Farquhar、Kallol Ray

  DOI：10.1039/c3dt52644e

  日期：——

  Oxidation of phenols by heterodinuclear CuIII(μ-O)2NiIII complexes containing nucleophilic oxo groups occurs by both proton coupled electron transfer (PCET) and hydrogen atom transfer (HAT) mechanisms; the exact mechanism depends on the nature of the phenol as well as the substitution pattern of the ligand bound to Cu.

  含有亲核氧代基团的异双核Cu III (μ-O) 2 Ni III配合物氧化苯酚通过质子耦合电子转移 (PCET) 和氢原子转移 (HAT) 机制发生；确切的机制取决于苯酚的性质以及与 Cu 结合的配体的取代模式。
• Selective electrochemical and photochemical syntheses of unsymmetrical biaryls and their non-linear optical properties
  作者：Catherine Combellas、H�l�ne Gautier、Jacques Simon、Andr� Thiebault、Fran�ois Tournilhac、Marguerite Barzoukas、Dominique Josse、Isabelle Ledoux、Christian Amatore、Jean-No�l Verpeaux

  DOI：10.1039/c39880000203

  日期：——

  A selective synthesis of unsymmetrically substituted electron donor/electron acceptor biaryls is described which is based on an electrochemically or photochemically induced SRN1 reaction; the optical hyperpolarizability coefficients β are determined in solution for the various reaction products and found to be of the same order of magnitude as that of 4-nitro-aniline.

  描述了基于电化学或光化学诱导的S RN 1反应的不对称取代的电子给体/电子受体联芳基的选择性合成；在溶液中确定各种反应产物的光学超极化率系数β，发现其与4-硝基苯胺具有相同的数量级。
• ——
  作者：A. A. Volod"kin、G. E. Zaikov

  DOI：10.1023/a:1022170915654

  日期：——

  The nature of the cation (K+ or Na+) in hydroxides affects the temperature plot of the equilibrium constant of the reaction of KOH and NaOH with 2,6-di-tert-butylphenol (ArOH) and the conversion of KOH and (or) NaOH to potassium or sodium 2,6-di-tert-butyl phenoxides, which are catalysts for the alkylation of ArOH by methyl acrylate. The kinetic method for determination of the composition of the catalyst formed from NaOH and ArOH was proposed. The nature of the cation in phenoxides ArOK or ArONa is a factor determining the kinetics of the reaction of ArOH with methyl acrylate. Two different kinetic schemes were proposed to describe the transformation of ArOH in the presence of ArONa or ArOK.