2,5-Bis-[1,3]dithiol-2-ylidenemethyl-1-methyl-1H-pyrrole | 141198-28-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 2,5-Bis-[1,3]dithiol-2-ylidenemethyl-1-methyl-1H-pyrrole
• 英文别名: 2,5-bis(1,3-dithiol-2-ylidenemethyl)-1-methylpyrrole
• CAS: 141198-28-9
• 化学式: C₁₃H₁₁NS₄
• 分子量: 309.501
• InChiKey: ZAUYNJWCNUKWJN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.52
• 重原子数：
  18.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  4.93
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  1-methyl-1H-pyrrole-2,5-diformaldehyde 、 [1,3]Dithiol-2-ylidene-triphenyl-λ⁵-phosphane 在 正丁基锂 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 以24%的产率得到2,5-Bis-[1,3]dithiol-2-ylidenemethyl-1-methyl-1H-pyrrole
  参考文献：
  名称：

  2,5-Bis(1,4-dithiafulven-6-yl) furans, thiophenes and N-methyl pyrroles as extended analogues of tetrathiafulvalene

  摘要：

  The title compounds are synthesized by Wittig or Wittig-Horner reactions between the corresponding furan, thiophen and N-methyl-pyrrole-2,5-dicarbaldehydes and P-reagents W or P bearing the 1,3-dithiol-2-ylidene moiety adequately substituted al the 4,5-positions; thanks to usual and thin layer cyclic voltammetry, they are shown to possess good pi-donor abilities.

  DOI：

  10.1016/s0040-4039(00)79014-9

文献信息

• Hansen, Thomas K.; Lakshmikantham; Cava, Nichael P., Journal of the American Chemical Society, 1992, vol. 114, # 13, p. 5035 - 5039
  作者：Hansen, Thomas K.、Lakshmikantham、Cava, Nichael P.、Niziurski-Mann, Renée E.、Jensen, Frank、Becher, Jan

  DOI：——

  日期：——
• 2,5-Bis(1,4-dithiafulven-6-yl) furans, thiophenes and N-methyl pyrroles as extended analogues of tetrathiafulvalene
  作者：A.S. Benahmed-Gasmi、P. Frère、B. Garrigues、A. Gorgues、M. Jubault、R. Carlier、F. Texier

  DOI：10.1016/s0040-4039(00)79014-9

  日期：1992.10

  The title compounds are synthesized by Wittig or Wittig-Horner reactions between the corresponding furan, thiophen and N-methyl-pyrrole-2,5-dicarbaldehydes and P-reagents W or P bearing the 1,3-dithiol-2-ylidene moiety adequately substituted al the 4,5-positions; thanks to usual and thin layer cyclic voltammetry, they are shown to possess good pi-donor abilities.