4,5-bis(ferrocenylmethylsulfanyl)-1,3-dithiole-2-thione | 164924-60-1

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: 4,5-bis(ferrocenylmethylsulfanyl)-1,3-dithiole-2-thione
• 英文别名: cyclopenta-1,3-diene;4-(cyclopenta-1,3-dien-1-ylmethylsulfanyl)-5-(cyclopenta-2,4-dien-1-ylmethylsulfanyl)-1,3-dithiole-2-thione;iron(2+)
• CAS: 164924-60-1
• 化学式: C₂₅H₂₂Fe₂S₅
• 分子量: 594.474
• InChiKey: GLTWSZYTTOTPJB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.37
• 重原子数：
  32
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  133
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  4,5-bis(ferrocenylmethylsulfanyl)-1,3-dithiole-2-thione 、 亚磷酸三乙酯 以 neat (no solvent) 为溶剂， 以16%的产率得到tetra(ferrocenylmethylsulfanyl)tetrathiafulvalene
  参考文献：
  名称：

  Synthesis, crystal structure and properties of novel ferrocenyl multisulfur compounds

  摘要：

  Novel compounds and metal complexes containing both ferrocene and sulfur-based ligands have been prepared and their properties investigated. The reaction of [NEt(4)](2)[Zn(C3S5)(2)] with (chloromethyl) ferrocene led to the compound 4,5-bis(ferrocenylmethylsulfanyl)-1,3-dithiole-2-thione. Similarly, the reaction of the salt Cs-2[C3OS4], led to the ketone analogue, 4,5-bis(ferrocenylmethylsulfanyl)-1,3-dithiole-2-one. The latter has been used to prepare a monoanionic tetraferrocenyl nickel dithiolene complex which shows an intense NIR absorption at 1250 nm recorded in CH2Cl2. Intermolecular coupling of the thione gave the novel tetra (ferrocenylmethylsulfanyl) tetrathiafulvalene electrochemical investigations of wh ich revealed characteristic ttf and ferrocenyl redox processes. The single-crystal structure of this compound has also been determined.

  DOI：

  10.1039/dt9950000897
• 作为产物：
  描述：

  草酰氯 、 二茂铁甲醇 、 Bis(tetraethylammonium) bis(2-thioxo-1,3-dithiole-4,5-dithiolato)zincate 以 二氯甲烷 为溶剂， 以14%的产率得到4,5-bis(ferrocenylmethylsulfanyl)-1,3-dithiole-2-thione
  参考文献：
  名称：

  Synthesis, crystal structure and properties of novel ferrocenyl multisulfur compounds

  摘要：

  Novel compounds and metal complexes containing both ferrocene and sulfur-based ligands have been prepared and their properties investigated. The reaction of [NEt(4)](2)[Zn(C3S5)(2)] with (chloromethyl) ferrocene led to the compound 4,5-bis(ferrocenylmethylsulfanyl)-1,3-dithiole-2-thione. Similarly, the reaction of the salt Cs-2[C3OS4], led to the ketone analogue, 4,5-bis(ferrocenylmethylsulfanyl)-1,3-dithiole-2-one. The latter has been used to prepare a monoanionic tetraferrocenyl nickel dithiolene complex which shows an intense NIR absorption at 1250 nm recorded in CH2Cl2. Intermolecular coupling of the thione gave the novel tetra (ferrocenylmethylsulfanyl) tetrathiafulvalene electrochemical investigations of wh ich revealed characteristic ttf and ferrocenyl redox processes. The single-crystal structure of this compound has also been determined.

  DOI：

  10.1039/dt9950000897