2-[[(Z)-2-(oxiran-2-ylmethylsulfanyl)ethenyl]sulfanylmethyl]oxirane | 1293410-20-4

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2-[[(Z)-2-(oxiran-2-ylmethylsulfanyl)ethenyl]sulfanylmethyl]oxirane
• CAS: 1293410-20-4
• 化学式: C₈H₁₂O₂S₂
• 分子量: 204.314
• InChiKey: NLKGAPICLKAVOI-UPHRSURJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  12
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  75.7
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-[[(Z)-2-(oxiran-2-ylmethylsulfanyl)ethenyl]sulfanylmethyl]oxirane 以 氘代二甲亚砜 、 乙醇 、 乙腈 为溶剂， 反应 73.0h， 生成 (Z,E)-trans-6,13-dihydroxy-1,4,8,11-tetrathiacyclotetradeca-2,9-diene
  参考文献：
  名称：

  Synthesis and structures of partially unsaturated thiacrown ethers with hydroxyl groups

  摘要：

  Partially unsaturated 14- and 28-membered thiacrown ethers possessing hydroxyl groups were synthesised. The crystal structures of some geometrical isomers of the macrocycles were determined by X-ray crystallographic analysis and six oxygen atoms of the 14-membered trans-thiacrown ether were found to gather through hydrogen bonds in the crystalline state. The redox behaviours of the 14-membered thiacrown ethers were examined and the Z,E-isomerisation reactions were found to occur upon heating.

  DOI：

  10.1080/10610278.2010.510561
• 作为产物：
  描述：

  disodium cis-ethene-1,2-dithiolate 、 环氧溴丙烷 以 乙腈 为溶剂， 反应 24.0h， 以43%的产率得到2-[[(Z)-2-(oxiran-2-ylmethylsulfanyl)ethenyl]sulfanylmethyl]oxirane
  参考文献：
  名称：

  Synthesis and structures of partially unsaturated thiacrown ethers with hydroxyl groups

  摘要：

  Partially unsaturated 14- and 28-membered thiacrown ethers possessing hydroxyl groups were synthesised. The crystal structures of some geometrical isomers of the macrocycles were determined by X-ray crystallographic analysis and six oxygen atoms of the 14-membered trans-thiacrown ether were found to gather through hydrogen bonds in the crystalline state. The redox behaviours of the 14-membered thiacrown ethers were examined and the Z,E-isomerisation reactions were found to occur upon heating.

  DOI：

  10.1080/10610278.2010.510561

文献信息

• Synthesis and structures of partially unsaturated thiacrown ethers with hydroxyl groups
  作者：Toshio Shimizu、Junryo Kuwahara、Satoru Komatsuzaki、Kazunori Hirabayashi

  DOI：10.1080/10610278.2010.510561

  日期：2011.1.1

  Partially unsaturated 14- and 28-membered thiacrown ethers possessing hydroxyl groups were synthesised. The crystal structures of some geometrical isomers of the macrocycles were determined by X-ray crystallographic analysis and six oxygen atoms of the 14-membered trans-thiacrown ether were found to gather through hydrogen bonds in the crystalline state. The redox behaviours of the 14-membered thiacrown ethers were examined and the Z,E-isomerisation reactions were found to occur upon heating.