2-(1,3-dithian-2-ylidene)malonic acid | 461024-59-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二噻烷
• 英文名称: 2-(1,3-dithian-2-ylidene)malonic acid
• 英文别名: 2-(1,3-dithian-2-ylidene)propanedioic acid
• CAS: 461024-59-9
• 化学式: C₇H₈O₄S₂
• 分子量: 220.27
• InChiKey: USHKNLLMCQGBBC-UHFFFAOYSA-N

物化性质

• 沸点：
  410.3±45.0 °C(Predicted)
• 密度：
  1.613±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  125
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-(1,3-dithian-2-ylidene)malonic acid 在 碘 、 碳酸氢钠 作用下， 以 乙醇 、 水 为溶剂， 反应 12.0h， 以89%的产率得到2-Diiodomethylene-[1,3]dithiane
  参考文献：
  名称：

  Iododecarboxylation Reactions of α‐Oxo Ketene Dithioacetals: The New Route to α‐Iodo Ketene Dithioacetals

  摘要：

  The iododecarboxylation reactions of alpha-carboxy ketene dithioacetals were presented. The alpha-iodo ketene dithioacetals 3 and alpha,alpha-diiodo ketene dithioacetals 4 were prepared in excellent yields simply from reactions of alpha-carboxy ketene dithioacetals 2 with iodine in aqueous media.

  DOI：

  10.1081/scc-120027285
• 作为产物：
  描述：

  diethyl (1,3-dithian-2-ylidene)-1-propanedioate 在 sodium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 以71%的产率得到2-(1,3-dithian-2-ylidene)malonic acid
  参考文献：
  名称：

  Iododecarboxylation Reactions of α‐Oxo Ketene Dithioacetals: The New Route to α‐Iodo Ketene Dithioacetals

  摘要：

  The iododecarboxylation reactions of alpha-carboxy ketene dithioacetals were presented. The alpha-iodo ketene dithioacetals 3 and alpha,alpha-diiodo ketene dithioacetals 4 were prepared in excellent yields simply from reactions of alpha-carboxy ketene dithioacetals 2 with iodine in aqueous media.

  DOI：

  10.1081/scc-120027285

文献信息

• Acid‐Promoted Thioacetalization in Water using 2‐(1,3‐Dithian‐2‐ylidene)malonic Acid as an Odorless and Efficient Thioacetalization Reagent
  作者：Yan Ouyang、Dewen Dong、Yongjiu Liang、Yanyan Chai,、Qun Liu

  DOI：10.1080/00397910601163984

  日期：2007.3.1
• POLYMER-FIXIERTE DITHIOLAN- BZW. DITHIANDERIVATE
  申请人：Karlsruher Institut für Technologie

  公开号：EP3049401B1

  公开（公告）日：2018-11-07
• POLYMER-FIXED DERIVATIVES OF DITHIOLANE OR DITHIANE
  申请人：KARLSRUHER INSTITUT FÜER TECHNOLOGIE

  公开号：US20160229832A1

  公开（公告）日：2016-08-11

  Derivatives of 1,3-dithianes and 1,3-dithiolanes of the general formula 1a or salts thereof of the general formula 1b where P=polymeric support, m=1 or 2, Z is an organic linker or X=inorganic or organic anion, processes for preparation thereof and use thereof.
• US9518039B2
  申请人：——

  公开号：US9518039B2

  公开（公告）日：2016-12-13
• Iododecarboxylation Reactions of α‐Oxo Ketene Dithioacetals: The New Route to α‐Iodo Ketene Dithioacetals
  作者：Yu‐Long Zhao、Qun Liu、Ran Sun、Qian Zhang、Xian‐Xiu Xu

  DOI：10.1081/scc-120027285

  日期：2004.12.31

  The iododecarboxylation reactions of alpha-carboxy ketene dithioacetals were presented. The alpha-iodo ketene dithioacetals 3 and alpha,alpha-diiodo ketene dithioacetals 4 were prepared in excellent yields simply from reactions of alpha-carboxy ketene dithioacetals 2 with iodine in aqueous media.