tert-butyl 2-(2-acetylthiophen-3-yl)acetate | 1429507-81-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: tert-butyl 2-(2-acetylthiophen-3-yl)acetate
• 英文别名: Tert-butyl 2-(2-acetylthiophen-3-yl)acetate
• CAS: 1429507-81-2
• 化学式: C₁₂H₁₆O₃S
• 分子量: 240.323
• InChiKey: JNRGRJWPQIGJFU-UHFFFAOYSA-N

物化性质

• 沸点：
  343.0±32.0 °C(Predicted)
• 密度：
  1.129±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  71.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  氯乙酸叔丁酯 、 在 XPhos Pd G2 、 caesium carbonate 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 18.0h， 以76%的产率得到tert-butyl 2-(2-acetylthiophen-3-yl)acetate
  参考文献：
  名称：

  Palladium-Catalyzed α-Arylation of 2-Chloroacetates and 2-Chloroacetamides

  摘要：

  A method has been developed for the Pd-catalyzed synthesis of alpha-(hetero)aryl esters and amides through a Suzuki-Miyaura cross-coupling reaction. This method avoids the use of strong base, does not necessitate inert or low temperature formation of reagents, and does not require the use of a large excess of organometallic reagent. Utilization of organotrifluoroborate salts as nucleophilic partners allows a variety of functional groups and heterocyclic compounds to be tolerated.

  DOI：

  10.1021/jo400488q

文献信息

• Palladium-Catalyzed α-Arylation of 2-Chloroacetates and 2-Chloroacetamides
  作者：Gary A. Molander、Kaitlin M. Traister、Thiago Barcellos

  DOI：10.1021/jo400488q

  日期：2013.4.19

  A method has been developed for the Pd-catalyzed synthesis of alpha-(hetero)aryl esters and amides through a Suzuki-Miyaura cross-coupling reaction. This method avoids the use of strong base, does not necessitate inert or low temperature formation of reagents, and does not require the use of a large excess of organometallic reagent. Utilization of organotrifluoroborate salts as nucleophilic partners allows a variety of functional groups and heterocyclic compounds to be tolerated.