(3-methanesulfonyloxypropylthio)tris(methylthio)tetrathiafulvalene | 252569-70-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: (3-methanesulfonyloxypropylthio)tris(methylthio)tetrathiafulvalene
• 英文别名: 3-[[2-[4,5-Bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-5-methylsulfanyl-1,3-dithiol-4-yl]sulfanyl]propyl methanesulfonate
• CAS: 252569-70-3
• 化学式: C₁₃H₁₈O₃S₉
• 分子量: 510.878
• InChiKey: BCQKZKRNXJEWQD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  25
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  254
• 氢给体数：
  0
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  (3-methanesulfonyloxypropylthio)tris(methylthio)tetrathiafulvalene 在 sodium azide 作用下， 以 乙腈 为溶剂， 反应 24.0h， 以67%的产率得到(3-azidopropylthio)tris(methylthio)tetrathiafulvalene
  参考文献：
  名称：

  Efficient Charge Separation in C₆₀-Based Dyads:  Triazolino[4‘,5‘:1,2][60]fullerenes

  摘要：

  Triazoline[4,5][60]fullerenes are strong electron accepters that form with tetrathiafulvalene (TTF), a novel type of donor-acceptor dyad exhibiting efficient improved electron-transfer dynamics. In particular, a rapid photoinduced intramolecular electron transfer, forming a charge-separated state, is followed by a slow charge recombination to generate the fullerene triplet excited state in moderate quantum yields.

  DOI：

  10.1021/jo991248d
• 作为产物：
  描述：

  2-(2'-cyanoethylthio)-3,6,7-tris(methylthio)tetrathiafulvalene 在 potassium tert-butylate 、 三乙胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.75h， 生成 (3-methanesulfonyloxypropylthio)tris(methylthio)tetrathiafulvalene
  参考文献：
  名称：

  Efficient Charge Separation in C₆₀-Based Dyads:  Triazolino[4‘,5‘:1,2][60]fullerenes

  摘要：

  Triazoline[4,5][60]fullerenes are strong electron accepters that form with tetrathiafulvalene (TTF), a novel type of donor-acceptor dyad exhibiting efficient improved electron-transfer dynamics. In particular, a rapid photoinduced intramolecular electron transfer, forming a charge-separated state, is followed by a slow charge recombination to generate the fullerene triplet excited state in moderate quantum yields.

  DOI：

  10.1021/jo991248d

文献信息

• Efficient Charge Separation in C₆₀-Based Dyads:  Triazolino[4‘,5‘:1,2][60]fullerenes
  作者：Dirk M. Guldi、Susana González、Nazario Martín、Aránzazu Antón、Javier Garín、Jesús Orduna

  DOI：10.1021/jo991248d

  日期：2000.4.1

  Triazoline[4,5][60]fullerenes are strong electron accepters that form with tetrathiafulvalene (TTF), a novel type of donor-acceptor dyad exhibiting efficient improved electron-transfer dynamics. In particular, a rapid photoinduced intramolecular electron transfer, forming a charge-separated state, is followed by a slow charge recombination to generate the fullerene triplet excited state in moderate quantum yields.