(3-Hydroxy-2,6-dimethylphenyl)-(2,4,5-trimethoxy-3-propan-2-ylphenyl)methanone | 1357476-86-8

• 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: (3-Hydroxy-2,6-dimethylphenyl)-(2,4,5-trimethoxy-3-propan-2-ylphenyl)methanone
• CAS: 1357476-86-8
• 化学式: C₂₁H₂₆O₅
• 分子量: 358.434
• InChiKey: VQBMDCLKMMBGFG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  65
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2,2,2-三氟乙醇 、 (3-Hydroxy-2,6-dimethylphenyl)-(2,4,5-trimethoxy-3-propan-2-ylphenyl)methanone 在 碘苯二乙酸 作用下， 反应 4.0h， 以24%的产率得到3-(3-isopropyl-2,4,5-trimethoxybenzoyl)-2,4-dimethyl-4-(2,2,2-trifluoroethoxy)cyclohexa-2,5-dien-1-one
  参考文献：
  名称：

  Synthetic Approach to 4a-Methyltetrahydrofluorene-Type Diterpenoids via an Aromatic Oxidation of Phenol Derivatives

  摘要：

  An intramolecular aromatic oxidation of a phenolic compound with a hypervalent iodine reagent afforded the coupling product, in which the coupling took place at the para-position of the methoxy goup of the starting material instead of the desired para-position of the isopropenyl group, unfortunately.

  DOI：

  10.1080/00397911.2010.518274
• 作为产物：
  描述：

  methyl 3-hydroxy-2,6-dimethylbenzoate 在 咪唑 、 manganese(IV) oxide 、 重铬酸吡啶 、 四丁基氟化铵 、 碘 、 二异丁基氢化铝 、 magnesium 作用下， 以 四氢呋喃 、 正己烷 、 二氯甲烷 为溶剂， 反应 20.5h， 生成 (3-Hydroxy-2,6-dimethylphenyl)-(2,4,5-trimethoxy-3-propan-2-ylphenyl)methanone
  参考文献：
  名称：

  Synthetic Approach to 4a-Methyltetrahydrofluorene-Type Diterpenoids via an Aromatic Oxidation of Phenol Derivatives

  摘要：

  An intramolecular aromatic oxidation of a phenolic compound with a hypervalent iodine reagent afforded the coupling product, in which the coupling took place at the para-position of the methoxy goup of the starting material instead of the desired para-position of the isopropenyl group, unfortunately.

  DOI：

  10.1080/00397911.2010.518274

文献信息

• Synthetic Approach to 4a-Methyltetrahydrofluorene-Type Diterpenoids via an Aromatic Oxidation of Phenol Derivatives
  作者：Wuhong Chen、Koichi Kobayashi、Kazunori Takahashi、Toshio Honda

  DOI：10.1080/00397911.2010.518274

  日期：2011.11.15

  An intramolecular aromatic oxidation of a phenolic compound with a hypervalent iodine reagent afforded the coupling product, in which the coupling took place at the para-position of the methoxy goup of the starting material instead of the desired para-position of the isopropenyl group, unfortunately.