3-(trifluoromethyl)phenyl benzo[d][1,3]dioxole-5-carboxylate | 1020155-34-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: 3-(trifluoromethyl)phenyl benzo[d][1,3]dioxole-5-carboxylate
• 英文别名: [3-(Trifluoromethyl)phenyl] 1,3-benzodioxole-5-carboxylate
• CAS: 1020155-34-3
• 化学式: C₁₅H₉F₃O₄
• 分子量: 310.229
• InChiKey: OZQCLHGFEVGTCO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  胡椒醛 、 3-(三氟甲基)苯硼酸 在 air 、 palladium diacetate 、 cesium fluoride 、 1,3-dimesitylimidazolium tetrafluoroborate 作用下， 以 甲苯 为溶剂， 以62%的产率得到3-(trifluoromethyl)phenyl benzo[d][1,3]dioxole-5-carboxylate
  参考文献：
  名称：

  Palladium-Catalyzed Aromatic Esterification of Aldehydes with Organoboronic Acids and Molecular Oxygen

  摘要：

  A palladium-catalyzed aromatic esterification reaction of aldehydes with arylboronic acids under an air atmosphere was achieved. This reaction tolerates many functional groups and provides aryl benzoate derivatives with yields ranging from moderate to good. Dioxygen takes part in the reaction and is crucial for this transformation.

  DOI：

  10.1021/ol800176p

文献信息

• Palladium-Catalyzed Aromatic Esterification of Aldehydes with Organoboronic Acids and Molecular Oxygen
  作者：Changming Qin、Huayue Wu、Jiuxi Chen、Miaochang Liu、Jiang Cheng、Weike Su、Jinchang Ding

  DOI：10.1021/ol800176p

  日期：2008.4.1

  A palladium-catalyzed aromatic esterification reaction of aldehydes with arylboronic acids under an air atmosphere was achieved. This reaction tolerates many functional groups and provides aryl benzoate derivatives with yields ranging from moderate to good. Dioxygen takes part in the reaction and is crucial for this transformation.