2-(3-(4-bromophenyl)-1-(furan-2-yl)-3-oxopropylthio)acetic acid | 1246226-96-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-(3-(4-bromophenyl)-1-(furan-2-yl)-3-oxopropylthio)acetic acid
• 英文别名: 2-[3-(4-Bromophenyl)-1-(furan-2-yl)-3-oxopropyl]sulfanylacetic acid
• CAS: 1246226-96-9
• 化学式: C₁₅H₁₃BrO₄S
• 分子量: 369.236
• InChiKey: ZEQQRKXONBGQQA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  21
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  92.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1-(4-溴苯基)-3-(呋喃-2-基)丙-2-烯-1-酮 、 巯基乙酸 在 potassium tert-butylate 作用下， 以93%的产率得到2-(3-(4-bromophenyl)-1-(furan-2-yl)-3-oxopropylthio)acetic acid
  参考文献：
  名称：

  Potassium–Tertiary Butoxide–Assisted Addition of Thioglicolic Acid to Chalcone Derivatives Under Solvent-Free Conditions

  摘要：

  A series of chalcone derivatives containing thioglicolic acid (4a-j) was prepared by addition of thioglicolic acid to the chalcones (3a-j) in the presence of KOt-Bu under solvent-free conditions. The mechanistic pathway of the reaction can be explained by the Michael-type addition of thioglicolic acid to chalcone derivatives (3a-j).

  DOI：

  10.1080/00397910903291129

文献信息

• Potassium–Tertiary Butoxide–Assisted Addition of Thioglicolic Acid to Chalcone Derivatives Under Solvent-Free Conditions
  作者：Mustafa Ceylan、Meliha Burcu Gürdere、Hayreddin Gezegen、Yakup Budak

  DOI：10.1080/00397910903291129

  日期：2010.8.5

  A series of chalcone derivatives containing thioglicolic acid (4a-j) was prepared by addition of thioglicolic acid to the chalcones (3a-j) in the presence of KOt-Bu under solvent-free conditions. The mechanistic pathway of the reaction can be explained by the Michael-type addition of thioglicolic acid to chalcone derivatives (3a-j).