4-(3,5-Dimethylphenyl)-2-methylphenol | 1261945-91-8

• 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: 4-(3,5-Dimethylphenyl)-2-methylphenol
• CAS: 1261945-91-8
• 化学式: C₁₅H₁₆O
• 分子量: 212.291
• InChiKey: BPAJCDOWDGXCOT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  2-甲基-2-环己烯-1-酮 、 3,5-二甲基溴苯 在 palladium diacetate 、 caesium carbonate 、 三苯基膦 作用下， 以 N-甲基吡咯烷酮 为溶剂， 反应 15.0h， 以60%的产率得到4-(3,5-Dimethylphenyl)-2-methylphenol
  参考文献：
  名称：

  An Alternative Approach to para-C–H Arylation of Phenol: Palladium-Catalyzed Tandem γ-Arylation/Aromatization of 2-Cyclohexen-1-one Derivatives

  摘要：

  An efficient approach to prepare para-aryl phenols has been developed by using a Pd-catalyzed tandem gamma-arylation/aromatization of 2-cyclohexen-1-one derivatives with aryl bromides. This approach provides various p-aryl phenols from the phenol surrogates, 2-cyclohexen-1-one derivatives, in a single reaction step on the basis of C-H arylation.

  DOI：

  10.1021/ol300145g

文献信息

• An Alternative Approach to <i>para</i>-C–H Arylation of Phenol: Palladium-Catalyzed Tandem γ-Arylation/Aromatization of 2-Cyclohexen-1-one Derivatives
  作者：Tatsushi Imahori、Toru Tokuda、Tatsuya Taguchi、Hiroki Takahata

  DOI：10.1021/ol300145g

  日期：2012.2.17

  An efficient approach to prepare para-aryl phenols has been developed by using a Pd-catalyzed tandem gamma-arylation/aromatization of 2-cyclohexen-1-one derivatives with aryl bromides. This approach provides various p-aryl phenols from the phenol surrogates, 2-cyclohexen-1-one derivatives, in a single reaction step on the basis of C-H arylation.