Methyl ({5-[(2-cyanoethyl)sulfanyl]-2-thioxo-1,3-dithiol-4-yl}sulfanyl)acetate | 179010-18-5

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: Methyl ({5-[(2-cyanoethyl)sulfanyl]-2-thioxo-1,3-dithiol-4-yl}sulfanyl)acetate
• 英文别名: methyl 2-[[5-(2-cyanoethylsulfanyl)-2-sulfanylidene-1,3-dithiol-4-yl]sulfanyl]acetate
• CAS: 179010-18-5
• 化学式: C₉H₉NO₂S₅
• mdl: MFCD01142895
• 分子量: 323.506
• InChiKey: WGHARMQFONOWOV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  17
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  183
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  Methyl ({5-[(2-cyanoethyl)sulfanyl]-2-thioxo-1,3-dithiol-4-yl}sulfanyl)acetate 在 mercury(II) diacetate 作用下， 以 溶剂黄146 为溶剂， 以73%的产率得到Methyl 2-[[5-(2-cyanoethylsulfanyl)-2-oxo-1,3-dithiol-4-yl]sulfanyl]acetate
  参考文献：
  名称：

  Abashev, G. G.; Russkikh, V. S.; Shklyaeva, E. V., Russian Journal of Organic Chemistry, 1995, vol. 31, # 11, p. 1533 - 1537

  摘要：

  DOI：
• 作为产物：
  描述：

  甲醇 、 3-溴丙腈 、 1,3-Dithiol-2-thiono<4,5-e>-2,3-dihydro-1,4-dithiin-2-on 在 sodium methylate 作用下， 生成 Methyl ({5-[(2-cyanoethyl)sulfanyl]-2-thioxo-1,3-dithiol-4-yl}sulfanyl)acetate
  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

文献信息

• Bis(1,3-dithiole-2-chalcogenones) and tetrathiafulvalenes in the synthesis of bridged tetrathiafulvalene-containing structures
  作者：G. G. Abashev、A. Yu. Bushueva、K. Yu. Lebedev、E. V. Shklyaeva

  DOI：10.1134/s1070428007010186

  日期：2007.1

  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.
• Abashev, G. G.; Russkikh, V. S.; Shklyaeva, E. V., Russian Journal of Organic Chemistry, 1995, vol. 31, # 11, p. 1533 - 1537
  作者：Abashev, G. G.、Russkikh, V. S.、Shklyaeva, E. V.、Vladykin, V. I.

  DOI：——

  日期：——