4,4'-dihydroxy-3,3'-dimethyl-6-nitrobiphenyl | 112036-06-3

• 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: 4,4'-dihydroxy-3,3'-dimethyl-6-nitrobiphenyl
• 英文别名: 4,4'-dihydroxy-3,3'-dimethyl-6-nitrodiphenyl；6-nitro-4,4'-dihydroxy-3,3'-dimethylbiphenyl；6-Nitro-4.4'-dioxy-3.3'-dimethyl-diphenyl；5,3'-Dimethyl-2-nitro-biphenyl-4,4'-diol；4-(4-hydroxy-3-methylphenyl)-2-methyl-5-nitrophenol
• CAS: 112036-06-3
• 化学式: C₁₄H₁₃NO₄
• 分子量: 259.262
• InChiKey: KDQPQPDLRUVRSD-UHFFFAOYSA-N

物化性质

• 熔点：
  176-178 °C
• 沸点：
  414.6±45.0 °C(Predicted)
• 密度：
  1.322±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.29
• 重原子数：
  19.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  83.6
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 生成 4,4'-dihydroxy-3,3'-dimethyl-6-nitrobiphenyl
  参考文献：
  名称：

  Loewenherz, Chemische Berichte, 1892, vol. 25, p. 1034

  摘要：

  DOI：

文献信息

• Cerium(IV) induced hydroxylation of c-alkylated hydrocarbons and phenols
  作者：H.Mohindra Chawla、S.K. Sharma、K. Chakrabarty、S. Bhanumati

  DOI：10.1016/s0040-4020(01)85902-0

  日期：1988.1

  Hydroxylation of C-alkylated phenols has been achieved by employing cerium (IV) ammonium nitrate and hydrogen peroxide in acetic acid medium. The yield of hydroxylation products increases markedly when 3 × 10-3 M solution of sodium dodecyl sulphate is added to the oxidation system. The plausible mechanism of the reaction seems to involve free radical intermediates and is influenced by hydrophobic environment

  通过在乙酸介质中使用硝酸铈（IV）铵和过氧化氢，可以实现C烷基化苯酚的羟基化。当将3×10 -3 M十二烷基硫酸钠溶液添加到氧化系统中时，羟基化产物的产率显着增加。该反应的合理机制似乎涉及自由基中间体，并且受疏水环境的影响。从酚的氧化偶联的观点来看，该发现也具有重要意义。
• Hydroxylation of alkylphenols by cerium(IV) in conjunction with hydrogen peroxide and sodium dodecyl sulphate
  作者：H. Mohindra Chawla、S. Kumar Sharma、K. Chakrabarty、S. Bhanumati

  DOI：10.1039/c39880000128

  日期：——

  Hydroxylation of alkylphenols has been achieved by oxidation with cerium(IV) ammonium nitrate in conjunction with hydrogen peroxide in sodium dodecyl sulphate medium; concurrent oxidation of alkyl groups and subsequent decarboxylation have also been observed in some cases.

  烷基酚的羟化反应是通过在十二烷基硫酸钠介质中用硝酸铈（IV）铵和过氧化氢进行氧化来实现的。在某些情况下还观察到烷基同时氧化和随后的脱羧。
• Chakrabarty, K; Chawla, H M; Suresh, V V, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1992, vol. 31, # 7, p. 464 - 466
  作者：Chakrabarty, K、Chawla, H M、Suresh, V V

  DOI：——

  日期：——
• Chakrabarty, Kakoli; Chawla, H. Mohindra; Suresh, Valiya Veettil, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1993, vol. 32, # 2, p. 266 - 274
  作者：Chakrabarty, Kakoli、Chawla, H. Mohindra、Suresh, Valiya Veettil

  DOI：——

  日期：——
• Chaudhuri, Kakoli; Chawla, H. Mohindra, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1987, vol. 26, # 1-12, p. 272 - 273
  作者：Chaudhuri, Kakoli、Chawla, H. Mohindra

  DOI：——

  日期：——