dichlorobis(1,2-bis(4-tert-butyl-2-isocyanothiophenoxy)ethane)iron(II) | 528565-88-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: dichlorobis(1,2-bis(4-tert-butyl-2-isocyanothiophenoxy)ethane)iron(II)
• 英文别名: 4-tert-butyl-1-[2-(4-tert-butyl-2-isocyanophenyl)sulfanylethylsulfanyl]-2-isocyanobenzene;dichloroiron
• CAS: 528565-88-0
• 化学式: C₄₈H₅₆Cl₂FeN₄S₄
• 分子量: 944.016
• InChiKey: FCHLVHNAMGXHAI-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  17.91
• 重原子数：
  59
• 可旋转键数：
  14
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  119
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  iron(II) chloride tetrahydrate 、 1,2-bis(4-tert-butyl-2-isocyanothiophenoxy)ethane 以 甲醇 、 二氯甲烷 为溶剂， 以65%的产率得到dichlorobis(1,2-bis(4-tert-butyl-2-isocyanothiophenoxy)ethane)iron(II)
  参考文献：
  名称：

  Synthesis and Spectral Properties of Iron(II), Copper(I), Silver(I), and Palladium(II) Complexes of a Bidentate Diisonitrile

  摘要：

  The diisonitrile (t-BuDisNC) with two thioether sulfurs in the bridging group has been synthesized in six reaction steps from chlorobenzene. The treatment of iron(II) chloride, silver(I) tetrafluoroborate or sodium tetrachloropalladate(II) with t-BuDisNC yields the corresponding complexes, FeCl2(t-BuDisNC)(2), Ag(t-BuDisNC)(2)BF4, PdCl2(t-BuDisNC), whereas the copper(I) complex, Cu(t-BuDisNC)(2)BF4, is prepared by a ligand exchange reaction. As judged by the molar. conductances. and mass spectra of Cu(t-BuDisNC)(2)BF4 and Ag(t-BuDisNC)(2)BF4, the tetrafluoroborate anion is ionized in acetonitrile. The strong band at 2110 cm(-1), which is correlated with the NdropC stretching mode, shifts to higher energy upon the inductive effect of the metal ion. The methylene proton signal in the bridging group is scarcely shifted on metal coordination. These data show that the NdropC group in the complexes serves as a a-donor and the thioether sulfur is not coordinated to the metal atom.

  DOI：

  10.1081/sim-120016869