2,2',3,3',4,4',5,5'-octamethylferrocene-1,1'-dithiol | 212910-14-0

• 分子结构分类: 有机化合物
• 英文名称: 2,2',3,3',4,4',5,5'-octamethylferrocene-1,1'-dithiol
• 英文别名: iron(2+);2,3,4,5-tetramethylcyclopenta-2,4-diene-1-thiol
• CAS: 212910-14-0
• 化学式: C₁₈H₂₆FeS₂
• 分子量: 362.383
• InChiKey: JZKLXRWVAYENFW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
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• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  2,2',3,3',4,4',5,5'-octamethylferrocene-1,1'-dithiol 、 三光气 在 NEt₃ 作用下， 以 四氢呋喃 为溶剂， 以70%的产率得到2,2',3,3',4,4',5,5'-octamethyl-1,1'-dithiacarbonyl[3]ferrocenophane
  参考文献：
  名称：

  Charge-Transfer Salts of Octamethylferrocenyl Thioethers and [M(mnt)₂]^- Complexes (M = Ni, Co, Pt). Synthesis, Structure, and Physical Properties

  摘要：

  The new ferrocene derivatives Fe(eta(5)-C5Me4SR)(2) (R = Me, 4: R = t-Bu, 5) have been prepared from the corresponding cyclepentadiene and FeCl2. 5 may be converted to the bis(thiobenzoate) 6, a protected form of dithiol 8. From 6 the octamethyl trithiaferrocenophane 9 may be obtained in good yields. Compounds 4 and 5 are easily oxidized and form paramagnetic salts containing [M(mnt)2](-) anions (M = Co, Ni, Pt). The derivatives [Fe(eta(5)-C5Me4SMe)(2)] [Ni(mnt)(2)], 14, [Fe(eta(5)-C5Me4SMe)(2)] [Pt(mnt)(2)], 15, [Fe(eta(5)-C5Me4SMe)(2)] [Co(mnt)(2)], 16, [Fe-(eta(5)-C(5)Me(4)St-Bu)(2)] [Ni(mnt)(2)], 17, [Fe(eta(5)-C(5)Me(4)St-Bu)(2)] [Pt(mnt)(2)], 18, and [Fe(eta(5)-C(5)Me(4)St-Bu)(2)] [Co(mnt)(2)], 19, have been prepared and fully characterized. X-ray crystal structural studies of 14 and 16-19 have been carried out. 14 and 16 display stacks of strongly interacting [M(mnt)(2)](-) anions, whereas 19 contains discrete [Co(mnt)(2)] dimers. 17 and 18 are isomorphous and display a typical D(+)A(-)D(+)A(-) structural motif. SQUID susceptibility measurements indicate a weak ferromagnetic ordering at low temperature for these two compounds.

  DOI：

  10.1021/ic9802045
• 作为产物：
  描述：

  盐酸 、 2,2',3,3',4,4',5,5'-octamethylferrocen-1,1'-diyl bis(thiobenzoate) 在 NaOMe 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 以99%的产率得到2,2',3,3',4,4',5,5'-octamethylferrocene-1,1'-dithiol
  参考文献：
  名称：

  Charge-Transfer Salts of Octamethylferrocenyl Thioethers and [M(mnt)₂]^- Complexes (M = Ni, Co, Pt). Synthesis, Structure, and Physical Properties

  摘要：

  The new ferrocene derivatives Fe(eta(5)-C5Me4SR)(2) (R = Me, 4: R = t-Bu, 5) have been prepared from the corresponding cyclepentadiene and FeCl2. 5 may be converted to the bis(thiobenzoate) 6, a protected form of dithiol 8. From 6 the octamethyl trithiaferrocenophane 9 may be obtained in good yields. Compounds 4 and 5 are easily oxidized and form paramagnetic salts containing [M(mnt)2](-) anions (M = Co, Ni, Pt). The derivatives [Fe(eta(5)-C5Me4SMe)(2)] [Ni(mnt)(2)], 14, [Fe(eta(5)-C5Me4SMe)(2)] [Pt(mnt)(2)], 15, [Fe(eta(5)-C5Me4SMe)(2)] [Co(mnt)(2)], 16, [Fe-(eta(5)-C(5)Me(4)St-Bu)(2)] [Ni(mnt)(2)], 17, [Fe(eta(5)-C(5)Me(4)St-Bu)(2)] [Pt(mnt)(2)], 18, and [Fe(eta(5)-C(5)Me(4)St-Bu)(2)] [Co(mnt)(2)], 19, have been prepared and fully characterized. X-ray crystal structural studies of 14 and 16-19 have been carried out. 14 and 16 display stacks of strongly interacting [M(mnt)(2)](-) anions, whereas 19 contains discrete [Co(mnt)(2)] dimers. 17 and 18 are isomorphous and display a typical D(+)A(-)D(+)A(-) structural motif. SQUID susceptibility measurements indicate a weak ferromagnetic ordering at low temperature for these two compounds.

  DOI：

  10.1021/ic9802045