| 455255-65-9

• CAS: 455255-65-9
• 化学式: C₁₄H₉CrNO₂S₂
• 分子量: 339.359
• InChiKey: AVNLQBLTWGFLRG-UHFFFAOYSA-M

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：
  None
• 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：

  、 trimethoxonium tetrafluoroborate 以 甲苯 为溶剂， 以45%的产率得到[(eta.5-cyclopentadienyl)3Cr3(μ-OH)(μ3-O)(μ2-η2-SCSNC6H4)2]BF4
  参考文献：
  名称：

  Heterocyclic Thionates as a New Class of Bridging Ligands in Oxo-Centered Triangular Cyclopentadienylchromium(III) Complexes

  摘要：

  The interactions of the benzothiazolate complex, CpCr(CO)(2)(SCSN(C6H4)) (2), and the tetrazole thiolate complex, CpCr(CO)(3)(eta(1)-SCN4Ph) (3), with controlled amounts of Me3OBF4 and (MeO)(2)SO2, respectively, produced the corresponding mu(3)-oxo trinuclear thionate-bridged complexes, [Cp3Cr3(mu(2)-OH)(mu(3)-O)(mu(2)-eta(2)-SCSN(C6H4))(2)](5)BF4 (45%) and [Cp3Cr3(mu(2)-OH)(mu(3)-O)(mu(2)-eta(2)-SCN4Ph)(2)](9)(MeOSO3) (53%), together with their respective free dimethylated thiolate ligands, [MeSCSNMe(C6H4)](4)BF4 and (Me2SCN4Ph)(8)MeOSO3. The reaction of 3 with Me3OBF4 resulted in the isolation of a binuclear complex, [Cp2Cr2(mu-OH)(mu-eta(2)-SCN4Ph)(2)](7)BF4 (43%), and (8)BF4 (27%). The reaction of the thiopyricline complex, CpCr(CO)(2)(SPy) (4), with I-2 also produced a similar mu(3)-oxo complex 10 (31 %), together with CpCrI2(THF) (11) and the disulfide (SPy)(2). Similar reactions with 2 and 3 and I-2 yielded species 5 and 7, together with 11 and disulfides derived from their respective ligands. Cyclic voltammograms recorded in solutions of 5 and 9 indicated that the compounds could be reduced and oxidized at very similar potentials. An EPR spectrum characteristic of a compound with axial symmetry was obtained for 9 at 7 K. Single-crystal X-ray diffraction analyses confirmed that species 7 is dinuclear, whereas 5 and 9 are structural trinuclear analogues, each containing a mu(3)-oxo central core.

  DOI：

  10.1021/ic048287e
• 作为产物：
  描述：

  bis(cyclopentadienylchromium tricarbonyl) 、 二硫化二苯并噻唑 以 not given 为溶剂， 以78%的产率得到
  参考文献：
  名称：

  环戊二烯基铬配合物中金属螯合物和噻唑环的有机金属自由基引发裂解

  摘要：

  巯基苯并噻唑铬配合物 CpCr(CO)2(SCSN(C6H4)) (2) 中的广泛环裂解，由三羰基环戊二烯基铬引发，产生新型多核配合物 3-5。

  DOI：

  10.1021/ja026335t