6-Hydroxy-6.7-dihydro-5H-1.4-dithiepin | 57684-76-1

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 6-Hydroxy-6.7-dihydro-5H-1.4-dithiepin
• 英文别名: 6.7-Dihydro-5H-1.4-dithiepin-6-ol；6,7-dihydro-5H-1,4-dithiepin-6-ol
• CAS: 57684-76-1
• 化学式: C₅H₈OS₂
• 分子量: 148.25
• InChiKey: LKZSWESFJBGUHO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  70.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  6-Hydroxy-6.7-dihydro-5H-1.4-dithiepin 以70%的产率得到
  参考文献：
  名称：

  MURATA I.; NAKASUJI K.; NAKAJIMA Y., TETRAHEDRON LETT. , 1975, NO 24, 1895-1898

  摘要：

  DOI：
• 作为产物：
  描述：

  disodium cis-ethene-1,2-dithiolate 、 环氧氯丙烷 以 乙醇 为溶剂， 反应 24.0h， 以22%的产率得到6-Hydroxy-6.7-dihydro-5H-1.4-dithiepin
  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

• SCHMIDT R. R.; BERRER R., CHEM. BER. <CHBE-AM>, 1976, 109, NO 8, 2928-2935
  作者：SCHMIDT R. R.、 BERRER R.

  DOI：——

  日期：——