2-[1,3]Dithiepan-2-ylidene-malonic acid diethyl ester | 62280-80-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-[1,3]Dithiepan-2-ylidene-malonic acid diethyl ester
• 英文别名: Propanedioic acid, 1,3-dithiepan-2-ylidene-, diethyl ester；diethyl 2-(1,3-dithiepan-2-ylidene)propanedioate
• CAS: 62280-80-2
• 化学式: C₁₂H₁₈O₄S₂
• 分子量: 290.405
• InChiKey: NTGKATSRKJVRAY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  18
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  103
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-[1,3]Dithiepan-2-ylidene-malonic acid diethyl ester 在 sodium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 以71%的产率得到2-[1,3]Dithiepan-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

• 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.