4,4'-[2,3-dihydro-1,4-benzodioxine-5,8-diylbis(methylenesulfanyl)]bis(5-methyl-1,3-dithiole-2-selone) | 1004312-13-3

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 4,4'-[2,3-dihydro-1,4-benzodioxine-5,8-diylbis(methylenesulfanyl)]bis(5-methyl-1,3-dithiole-2-selone)
• CAS: 1004312-13-3
• 化学式: C₁₈H₁₆O₂S₆Se₂
• 分子量: 614.64
• InChiKey: RKBXDCYIFGQOHO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.31
• 重原子数：
  28.0
• 可旋转键数：
  6.0
• 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：
  8.0

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-methyl-1,3-dithiole-2-selone) 在 亚磷酸三乙酯 作用下， 以 xylene 为溶剂， 反应 3.0h， 以65%的产率得到1⁵,2⁵-dimethyl-5²,5³-dihydro-1²H,2²H-3,7-dithia-1(4,2),2(2,4)-di(1,3-dithiola)-5(5,8)-(1,4-benzodioxina)cycloheptaphan-1²(2²)-ene
  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 在 selenium 、 sodium tetrahydroborate 作用下， 以 乙醇 、 丙酮 为溶剂， 生成 4,4'-[2,3-dihydro-1,4-benzodioxine-5,8-diylbis(methylenesulfanyl)]bis(5-methyl-1,3-dithiole-2-selone)
  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