5,8-dioxa-2,11,13,15-tetrathiabicyclo<10.3.0>pentadec-1(12)-ene-14-thione | 126921-81-1

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 5,8-dioxa-2,11,13,15-tetrathiabicyclo<10.3.0>pentadec-1(12)-ene-14-thione
• 英文别名: 5,8-dioxa-2,11,13,15-tetrathiabicyclo[10.3.0]pentadec-1(12)-ene-14-thione
• CAS: 126921-81-1
• 化学式: C₉H₁₂O₂S₅
• 分子量: 312.523
• InChiKey: UIZYVOZVNAMNPG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.77
• 重原子数：
  16.0
• 可旋转键数：
  0.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  18.46
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  5,8-dioxa-2,11,13,15-tetrathiabicyclo<10.3.0>pentadec-1(12)-ene-14-thione 在 亚磷酸三乙酯 作用下， 反应 0.33h， 以34%的产率得到1,4,5,6-tetrahydro-2(3),6(7)-bis(4,7-dioxa-1,10-dithiadecane-1,10-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：

  4,5-双(苯甲酰硫基)-1,3-二硫杂环戊烯-2-硫酮 、 1,2-双(2-溴乙氧基)乙烷 在 sodium ethanolate 作用下， 生成 5,8-dioxa-2,11,13,15-tetrathiabicyclo<10.3.0>pentadec-1(12)-ene-14-thione 、 5,8,20,23-tetraoxa-2,11,13,15,17,26,28,30-octathiatricyclo<25.3.0.0^12,16>triaconta-1(27),12(16)-diene-14,29-dithione
  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

文献信息

• 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：——
• Becher, J.; Hansen, T. K.; Malhotra, N., Journal of the Chemical Society. Perkin transactions I, 1990, # 1, p. 175 - 177
  作者：Becher, J.、Hansen, T. K.、Malhotra, N.、Bojesen, G.、Boewardt, S.、et al.

  DOI：——

  日期：——
• 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.