3-(5-methylsulfanyl-2-{3,5,7,9-tetrathiatetracyclo[9.2.1.02,10.04,8]tetradec-4(8)-en-6-ylidene}-1,3-dithiol-4-ylsulfanyl)propanenitrile | 1004312-25-7

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 3-(5-methylsulfanyl-2-{3,5,7,9-tetrathiatetracyclo[9.2.1.02,10.04,8]tetradec-4(8)-en-6-ylidene}-1,3-dithiol-4-ylsulfanyl)propanenitrile
• 英文别名: 3-(5-methylsulfanyl-2-{3,5,7,9-tetrathiatetracyclo[9.2.1.0^2,10.0^4,8]tetradec-4(8)-en-6-ylidene}-1,3-dithiol-4-ylsulfanyl)propanenitrile
• CAS: 1004312-25-7
• 化学式: C₁₇H₁₇NS₈
• 分子量: 491.857
• InChiKey: WMCVAYNDHHVIBX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.98
• 重原子数：
  26.0
• 可旋转键数：
  4.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  23.79
• 氢给体数：
  0.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  5,8-bis(chloromethyl)-2,3-dihydro-1,4-benzodioxine 、 3-(5-methylsulfanyl-2-{3,5,7,9-tetrathiatetracyclo[9.2.1.02,10.04,8]tetradec-4(8)-en-6-ylidene}-1,3-dithiol-4-ylsulfanyl)propanenitrile 在 cesium hydroxide 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 0.5h， 以50%的产率得到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：

  3,5,7,9-Tetrathiatetracyclo[9.2.1.0~2,10~.0~4,8~]tetradec-4(8)-ene-6-thione 在 cesium hydroxide 、 亚磷酸三乙酯 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 3-(5-methylsulfanyl-2-{3,5,7,9-tetrathiatetracyclo[9.2.1.02,10.04,8]tetradec-4(8)-en-6-ylidene}-1,3-dithiol-4-ylsulfanyl)propanenitrile
  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