5-oxo-2,8,10,12-tetrathiabicyclo<7.3.0>dodec-1(9)ene-11-thione | 144694-66-6

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 5-oxo-2,8,10,12-tetrathiabicyclo<7.3.0>dodec-1(9)ene-11-thione
• 英文别名: 5-Oxa-2,8,10,12-tetrathiabicyclo<7.3.0>dodec-1(9)-en-11-thion；5,6,8,9-tetrahydro-[1,3]dithiolo[4,5-e][1,4,7]oxadithionine-2-thione
• CAS: 144694-66-6
• 化学式: C₇H₈OS₅
• 分子量: 268.47
• InChiKey: HESFUOGZWARVQG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.75
• 重原子数：
  13.0
• 可旋转键数：
  0.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  9.23
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  5-oxo-2,8,10,12-tetrathiabicyclo<7.3.0>dodec-1(9)ene-11-thione 在 亚磷酸三乙酯 作用下， 反应 0.33h， 以27%的产率得到1,4,5,6-tetrahydro-2(3),6(7)-bis(4-oxa-1,7-dithiaheptane-1,7-diyl)-1,4,5,8-tetrathiafulvalene
  参考文献：
  名称：

  Crown ether derivatives of tetrathiafulvalene. 1

  摘要：

  A synthetic procedure leading to derivatives of tetrathiafulvalene (TTF) incorporating crown ether ligands has been developed. The properties of such redox-active ionophores were studied by cyclic voltammetry (CV), plasma desorption mass spectrometry (PDMS), and H-1-NMR.

  DOI：

  10.1021/jo00050a010
• 作为产物：
  描述：

  2,2'-二溴二乙醚 、 alkaline earth salt of/the/ methylsulfuric acid 以 丙酮 为溶剂， 反应 20.0h， 以20%的产率得到5-oxo-2,8,10,12-tetrathiabicyclo<7.3.0>dodec-1(9)ene-11-thione
  参考文献：
  名称：

  1,3-Dithiol-anellierte Kronenverbindungen

  摘要：

  DOI：

  10.1002/prac.19943360217

文献信息

• Paramagnetic dithiolene complexes as metallo-ligands: ether/thioether coordination
  作者：Alessia Famengo、Dalice Pinero、Olivier Jeannin、Thierry Guizouarn、Marc Fourmigué

  DOI：10.1039/c1dt12028j

  日期：——

  The secondary coordination ability of a paramagnetic nickel dithiolene complex, bearing an ether coordinating function within a nine-membered flexible ring, has been demonstrated in its [NiCl(DMF)2]+ complex, through coordination by both ether and thioether functions, allowing for a ferromagnetic interaction between both paramagnetic entities.

  顺磁镍二硫杂萘络合物在九元柔性环内具有醚配位功能，其辅助配位能力已通过[NiCl(DMF)2]+络合物得到证实，该络合物通过醚和硫醚功能进行配位，从而在两个顺磁实体之间产生铁磁相互作用。
• Becher, Jan; Hansen, Thomas K.; Joergensen, Tine, Bulletin des Societes Chimiques Belges, 1992, vol. 101, # 7, p. 555 - 568
  作者：Becher, Jan、Hansen, Thomas K.、Joergensen, Tine、Stein, Paul

  DOI：——

  日期：——
• Struktur und Komplexbildung kleiner 1,3-dithiol-anellierter Thiakronenverbindungen
  作者：Karsten Gloe、Torsten Krüger、Holger Stephan、Michael Wagner、Ulrike Drutkowski、Ruth-Maria Olk、Ulrich Leckelt、Rainer Richter、Eberhard Hoyer

  DOI：10.1002/(sici)1521-3749(199801)624:1<152::aid-zaac152>3.0.co;2-q

  日期：1998.1

  The molecular structures of two 1,3-dithiol anellated nine membered thia crown compounds have been determined by X-ray diffraction. Their complex formation behaviour towards Ag-I and Hg-II is studied and discussed using solvent extraction experiments and molecular modeling calculations.
• Crown ether derivatives of tetrathiafulvalene. 1
  作者：Thomas K. Hansen、Tine Joergensen、Paul C. Stein、Jan Becher

  DOI：10.1021/jo00050a010

  日期：1992.11

  A synthetic procedure leading to derivatives of tetrathiafulvalene (TTF) incorporating crown ether ligands has been developed. The properties of such redox-active ionophores were studied by cyclic voltammetry (CV), plasma desorption mass spectrometry (PDMS), and H-1-NMR.
• 1,3-Dithiol-anellierte Kronenverbindungen
  作者：M. Wagner、Ruth-Maria Olk、E. Hoyer

  DOI：10.1002/prac.19943360217

  日期：——