2-(4-Hydroxy-3-methoxyphenyl)-1,3-oxathiolan-5-one | 1258876-46-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 2-(4-Hydroxy-3-methoxyphenyl)-1,3-oxathiolan-5-one
• 英文别名: 2-(4-hydroxy-3-methoxyphenyl)-1,3-oxathiolan-5-one
• CAS: 1258876-46-8
• 化学式: C₁₀H₁₀O₄S
• 分子量: 226.253
• InChiKey: MOHAJFQXOFPEPC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  81.1
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  香草醛 、 巯基乙酸 在 碘 、 1-butyl-3-methylimidazolium Tetrafluoroborate 作用下， 反应 3.0h， 以87%的产率得到2-(4-Hydroxy-3-methoxyphenyl)-1,3-oxathiolan-5-one
  参考文献：
  名称：

  Molecular iodine in [bmim][BF4]: a highly efficient green catalytic system for one-pot synthesis of 1,3-oxathiolan-5-one

  摘要：

  Aldehydes and mercaptoacetic acid are coupled in the presence of a catalytic amount of economical and non-toxic molecular iodine in [bmim][BF4] ionic liquid under mild conditions to afford the corresponding 1,3-oxathiolan-5-one in excellent yields. Molecular iodine acts faster in ionic liquids when compared to conventional solvents such as DMSO, DMF, ethyl acetate, and acetonitrile. The recovered ionic liquids can be recycled in subsequent reactions with consistent activity. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.09.052

文献信息

• Molecular iodine in [bmim][BF4]: a highly efficient green catalytic system for one-pot synthesis of 1,3-oxathiolan-5-one
  作者：Manika Dewan、Ajeet Kumar、Amit Saxena、Arnab De、Subho Mozumdar

  DOI：10.1016/j.tetlet.2010.09.052

  日期：2010.11

  Aldehydes and mercaptoacetic acid are coupled in the presence of a catalytic amount of economical and non-toxic molecular iodine in [bmim][BF4] ionic liquid under mild conditions to afford the corresponding 1,3-oxathiolan-5-one in excellent yields. Molecular iodine acts faster in ionic liquids when compared to conventional solvents such as DMSO, DMF, ethyl acetate, and acetonitrile. The recovered ionic liquids can be recycled in subsequent reactions with consistent activity. (C) 2010 Elsevier Ltd. All rights reserved.