2-iodo-3,4-dimethyl-phenol | 1403775-56-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 2-iodo-3,4-dimethyl-phenol
• 英文别名: 2-Iodo-3,4-dimethylphenol
• CAS: 1403775-56-3
• 化学式: C₈H₉IO
• 分子量: 248.063
• InChiKey: MYPGXNFCQGYPNO-UHFFFAOYSA-N

物化性质

• 沸点：
  235.6±35.0 °C(Predicted)
• 密度：
  1.740±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-iodo-3,4-dimethyl-phenol 在 硫酸 、 双氧水 、 potassium iodide 作用下， 以 甲醇 为溶剂， 反应 1.5h， 生成 2,6-diiodo-3,4-dimethyl-phenol
  参考文献：
  名称：

  Dearomatization/Deiodination of o-Iodophenolic Compounds with α,β-Unsaturated Imines for Accessing Benzofuran Derivatives

  摘要：

  DOI：

  10.1021/acs.orglett.1c04065
• 作为产物：
  描述：

  3,4-二甲基苯酚 在 碘 作用下， 以 aq. buffer 为溶剂， 生成 2-iodo-3,4-dimethyl-phenol 、 2,6-diiodo-3,4-dimethyl-phenol 、 4,5-二甲基-2-碘苯酚
  参考文献：
  名称：

  Gas-chromatographic identification of products formed in iodination of methyl phenols by retention indices

  摘要：

  Iodination reaction followed by conversion of iodine-substituted methylphenols to the corresponding trifluoroacetates was suggested for improving the sensitivity of the gas-chromatographic determination of phenol and its methyl-substituted derivatives (al isomers of mono-and diethylphenols, 2,3,5-, 2,3,6-, and 3,4,5-trimethylphenols) in aqueous media. Acylation products of iodo methylphenols (104 compounds) were identified by linear-logarithmic retention indices on a standard nonpolar polydimethylsiloxane stationary phase, and the pattern of their variation with the number and nature of substituents were characterized. A procedure for identification of methyl-substituted phenols in water in their gas-chromatographic determination with an electron-capture detector was developed.

  DOI：

  10.1134/s1070427212090108

文献信息

• Nickel-Catalyzed Intramolecular Nucleophilic Addition of Aryl Halides to Aryl Ketones for the Synthesis of Benzofuran Derivatives
  作者：Chen-Liang Deng、Xiao-Rui Zhu

  DOI：10.1055/s-0040-1706662

  日期：2021.5

  A nickel-catalyzed intramolecular nucleophilic addition reaction of aryl halides to aryl ketones for the formation of benzofuran derivatives has been developed. A number of substrates bearing electron-donating or electron-withdrawing groups were subjected to the standard reaction conditions, giving the corresponding products in moderate to good yields.

  已经开发了镍催化的芳基卤化物与芳基酮的分子内亲核加成反应，以形成苯并呋喃衍生物。使许多带有给电子或吸电子基团的底物经受标准反应条件，以中等至良好的产率得到相应的产物。