4,4'-[2,3-dihydro-1,4-benzodioxine-5,8-diylbis(methylenesulfanyl)]bis(5-methylsulfanyl-1,3-dithiole-2-thione) | 1004312-14-4

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 4,4'-[2,3-dihydro-1,4-benzodioxine-5,8-diylbis(methylenesulfanyl)]bis(5-methylsulfanyl-1,3-dithiole-2-thione)
• CAS: 1004312-14-4
• 化学式: C₁₈H₁₆O₂S₁₀
• 分子量: 584.984
• InChiKey: XAVACNOAUGNCHN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.19
• 重原子数：
  30.0
• 可旋转键数：
  8.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  18.46
• 氢给体数：
  0.0
• 氢受体数：
  12.0

反应信息

• 作为反应物：
  描述：

  4,4'-[2,3-dihydro-1,4-benzodioxine-5,8-diylbis(methylenesulfanyl)]bis(5-methylsulfanyl-1,3-dithiole-2-thione) 在 mercury(II) diacetate 、 亚磷酸三乙酯 作用下， 以 溶剂黄146 为溶剂， 生成 5,8-bis{2-(3,5,7,9-tetrathiatetracyclo[9.2.1.0^2,10.0^4,8]tetradec-4(8)-en-6-ylidene)-5-methylsulfanyl-1,3-dithiol-4-ylsulfanylmethyl}-2,3-dihydro-1,4-benzodioxine
  参考文献：
  名称：

  Bis(1,3-dithiole-2-chalcogenones) and tetrathiafulvalenes in the synthesis of bridged tetrathiafulvalene-containing structures

  摘要：

  Bis(1,3-dithiole-2-chalcogenones) in which the 1,3-dithiole fragments are linked through various bridging groups were synthesized by different methods. Some of these compounds were converted into substituted tetrathiafulvalenes with bridged 1,3-dithiole rings. The same structures were synthesized from preliminarily prepared symmetric tetrathiafulvalenes containing 2-cyanoethylsulfanyl groups in both 1,3-dithiole rings. Similar spacers were used to bridge two tetrathiafulvalene fragments. Syntheses of the involved initial compounds were described.

  DOI：

  10.1134/s1070428007010186
• 作为产物：
  描述：

  5,8-bis(chloromethyl)-2,3-dihydro-1,4-benzodioxine 、 5-(2-cyanoethylsulfanyl)-4-methylsulfanyl-1,3-dithiole-2-thione 在 cesium hydroxide 作用下， 以 甲醇 为溶剂， 反应 0.17h， 以58%的产率得到4,4'-[2,3-dihydro-1,4-benzodioxine-5,8-diylbis(methylenesulfanyl)]bis(5-methylsulfanyl-1,3-dithiole-2-thione)
  参考文献：
  名称：

  Bis(1,3-dithiole-2-chalcogenones) and tetrathiafulvalenes in the synthesis of bridged tetrathiafulvalene-containing structures

  摘要：

  Bis(1,3-dithiole-2-chalcogenones) in which the 1,3-dithiole fragments are linked through various bridging groups were synthesized by different methods. Some of these compounds were converted into substituted tetrathiafulvalenes with bridged 1,3-dithiole rings. The same structures were synthesized from preliminarily prepared symmetric tetrathiafulvalenes containing 2-cyanoethylsulfanyl groups in both 1,3-dithiole rings. Similar spacers were used to bridge two tetrathiafulvalene fragments. Syntheses of the involved initial compounds were described.

  DOI：

  10.1134/s1070428007010186