3-[(4,5-dimethyl-1,3-dithiol-2-ylidene)methyl]pyridine | 1227098-48-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 3-[(4,5-dimethyl-1,3-dithiol-2-ylidene)methyl]pyridine
• 英文别名: 3-[(4,5-Dimethyl-1,3-dithiol-2-ylidene)methyl]pyridine
• CAS: 1227098-48-7
• 化学式: C₁₁H₁₁NS₂
• 分子量: 221.347
• InChiKey: LQFXVZKQEAQDHZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  63.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-[(4,5-dimethyl-1,3-dithiol-2-ylidene)methyl]pyridine 在 silver tetrafluoroborate 作用下， 以 二氯甲烷 为溶剂， 反应 2.5h， 以38%的产率得到3-[1,2-Bis(4,5-dimethyl-1,3-dithiol-2-ylidene)-2-pyridin-3-ylethyl]pyridine
  参考文献：
  名称：

  Pyridyldithiafulvenes as Precursors of Coordination-Driven Self-Assembled Redox Active Macrocycle

  摘要：

  A novel redox active macrocycle including two vinylogous tetrathiafulvalenes (TTFVs) and two molybdenum tetracarbonyl fragments has been synthezised thanks to the coordination-driven self-assembly of complementary angular derivatives. Pyridyl vinylogous TTFVs have been deliberately elaborated for that purpose, using the oxidative coupling of pyridyldithiafulvenes (DTF). Cyclic voltammetry, IR and NMR spectroscopies, and single-crystal X-ray crystallography of the target molecules have been investigated.

  DOI：

  10.1021/ol1007422
• 作为产物：
  描述：

  3-吡啶甲醛 、 2-diethoxyphosphinyl-4,5-dimethyl-1,3-dithiole 在 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 以60%的产率得到3-[(4,5-dimethyl-1,3-dithiol-2-ylidene)methyl]pyridine
  参考文献：
  名称：

  Pyridyldithiafulvenes as Precursors of Coordination-Driven Self-Assembled Redox Active Macrocycle

  摘要：

  A novel redox active macrocycle including two vinylogous tetrathiafulvalenes (TTFVs) and two molybdenum tetracarbonyl fragments has been synthezised thanks to the coordination-driven self-assembly of complementary angular derivatives. Pyridyl vinylogous TTFVs have been deliberately elaborated for that purpose, using the oxidative coupling of pyridyldithiafulvenes (DTF). Cyclic voltammetry, IR and NMR spectroscopies, and single-crystal X-ray crystallography of the target molecules have been investigated.

  DOI：

  10.1021/ol1007422

文献信息

• Pyridyldithiafulvene as N-ligand towards molybdenum carbonyl complexes and evidence of protonation through hydrolysis of lead perchlorate
  作者：Michel Guerro、Elodie Gontier、Thierry Roisnel、Dominique Lorcy

  DOI：10.1016/j.jorganchem.2010.12.040

  日期：2011.4

  The ability of pyridyldithiafulvenes to react as monodentate ligand with Mo(CO)(6) and Pb(ClO4)(2) has been investigated. The corresponding molybdenum carbonyl complexes have been isolated while no coordination to lead has been observed. As evidenced by X-ray crystal structure analysis, protonation of the pyridyl moiety has occurred due to the propensity of lead perchlorate trihydrate to hydrolyze in acetonitrile. The spectroscopic and redox properties of the molybdenum complexes as well as the pyridinium dithiafulvenes have been compared with their precursors and discussed. (C) 2011 Elsevier B.V. All rights reserved.
• Pyridyldithiafulvenes as Precursors of Coordination-Driven Self-Assembled Redox Active Macrocycle
  作者：Elodie Gontier、Nathalie Bellec、Pierre Brignou、Arnaud Gohier、Michel Guerro、Thierry Roisnel、Dominique Lorcy

  DOI：10.1021/ol1007422

  日期：2010.5.21

  A novel redox active macrocycle including two vinylogous tetrathiafulvalenes (TTFVs) and two molybdenum tetracarbonyl fragments has been synthezised thanks to the coordination-driven self-assembly of complementary angular derivatives. Pyridyl vinylogous TTFVs have been deliberately elaborated for that purpose, using the oxidative coupling of pyridyldithiafulvenes (DTF). Cyclic voltammetry, IR and NMR spectroscopies, and single-crystal X-ray crystallography of the target molecules have been investigated.