1,4,5,6-tetrahydro-2(3),6(7)-bis(4-oxa-1,7-dithiaheptane-1,7-diyl)-1,4,5,8-tetrathiafulvalene | 144694-73-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二硫醇
• 英文名称: 1,4,5,6-tetrahydro-2(3),6(7)-bis(4-oxa-1,7-dithiaheptane-1,7-diyl)-1,4,5,8-tetrathiafulvalene
• 英文别名: 2-(5,6,8,9-Tetrahydro-[1,3]dithiolo[4,5-e][1,4,7]oxadithionin-2-ylidene)-5,6,8,9-tetrahydro-[1,3]dithiolo[4,5-e][1,4,7]oxadithionine；2-(5,6,8,9-tetrahydro-[1,3]dithiolo[4,5-e][1,4,7]oxadithionin-2-ylidene)-5,6,8,9-tetrahydro-[1,3]dithiolo[4,5-e][1,4,7]oxadithionine
• CAS: 144694-73-5
• 化学式: C₁₄H₁₆O₂S₈
• 分子量: 472.808
• InChiKey: LOCSVIONZZRPQC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  24
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  221
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  1,4,5,6-tetrahydro-2(3),6(7)-bis(4-oxa-1,7-dithiaheptane-1,7-diyl)-1,4,5,8-tetrathiafulvalene 、 7,7,8,8-四氰基对苯二醌二甲烷 以 乙腈 为溶剂， 生成 5,6,8,9,5',6',8',9'-Octahydro-[2,2']bi[7-oxa-1,3,4,10-tetrathia-cyclopentacyclononenylidene]; compound with 2-(4-dicyanomethylene-cyclohexa-2,5-dienylidene)-malononitrile
  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：

  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

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：——
• 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.