1-(1,1-dioxo-1,5,2-dithiazepan-2-yl)ethanone | 1449038-12-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: 1-(1,1-dioxo-1,5,2-dithiazepan-2-yl)ethanone
• 英文别名: 1-(1,1-Dioxo-1,5,2-dithiazepan-2-yl)ethanone
• CAS: 1449038-12-3
• 化学式: C₆H₁₁NO₃S₂
• 分子量: 209.29
• InChiKey: CTWLZELFBDZULD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  88.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1,5,2-dithiazepane 1,1-dioxide 、 乙酰氯 在 4-二甲氨基吡啶 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 以88%的产率得到1-(1,1-dioxo-1,5,2-dithiazepan-2-yl)ethanone
  参考文献：
  名称：

  Synthesis of a Library of 1,5,2-Dithiazepine 1,1-Dioxides. Part 1: A One-Pot Sulfonylation/Thia-Michael Protocol

  摘要：

  A novel one-pot sulfonylation/intramolecular thia-Michael protocol is reported for the synthesis of 1,5,2-dithiazepine 1,1-dioxides. Sulfonylation between cysteine ethyl ester/cysteamine and 2-chloroethanesulfonyl chloride, followed by in situ intramolecular thia-Michael addition, was achieved and afforded the titled 1,5,2-dithiazepine-1,1-dioxide scaffolds. Diversification was demonstrated for future library synthesis.

  DOI：

  10.3987/com-12-s(n)121

文献信息

• Synthesis of a Library of 1,5,2-Dithiazepine 1,1-Dioxides. Part 1: A One-Pot Sulfonylation/Thia-Michael Protocol
  作者：Paul R. Hanson、Qin Zang、Aihua Zhou、Salim Javed、Pradip K. Maity、Chirs A. Knudtson、Danse Bi、Jared J. Hastings、Fatima Z. Basha

  DOI：10.3987/com-12-s(n)121

  日期：——

  A novel one-pot sulfonylation/intramolecular thia-Michael protocol is reported for the synthesis of 1,5,2-dithiazepine 1,1-dioxides. Sulfonylation between cysteine ethyl ester/cysteamine and 2-chloroethanesulfonyl chloride, followed by in situ intramolecular thia-Michael addition, was achieved and afforded the titled 1,5,2-dithiazepine-1,1-dioxide scaffolds. Diversification was demonstrated for future library synthesis.