CpCr(CO)3(η1-SCN4Ph) | 849693-67-0

• 英文名称: CpCr(CO)3(η1-SCN4Ph)
• 英文别名: (η5-C5H5)Cr(CO)3(η1-SCN4Ph)
• CAS: 849693-67-0
• 化学式: C₁₅H₁₀CrN₄O₃S
• 分子量: 378.331
• InChiKey: LXNRNIHOSGUWDU-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为反应物：
  描述：

  CpCr(CO)3(η1-SCN4Ph) 、 trimethoxonium tetrafluoroborate 以 甲苯 为溶剂， 以43%的产率得到[(η5-C5H5)2Cr2(μ-OH)(μ-η2-SCN4Ph)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) 、 5,5′-二硫双(1-苯基-1H-四唑) 以 四氢呋喃 为溶剂， 以79%的产率得到CpCr(CO)3(η1-SCN4Ph)
  参考文献：
  名称：

  CpCr（CO）3引发的环戊二烯基铬配合物中的硫四唑配体中的N–N键断裂

  摘要：

  所述tetrazolylthiolato复杂CPCR（CO）3（STZ）（图4a），由[CPCR（CO）之间的反应容易得到3 ] 2（CP = C 5 H ^ 5）（1）和5,5'-二硫代双（1-苯基-1H-四唑）（缩写为（PhN 4 CS）2或（STz）2）。的进一步反应4a中与1导致的低产率的热分解隔离条件下立方烷类络合物的Cp 4的Cr 4小号3（μ 3 -N 3的pH）（5）中，Cp 4铬4 š 2（μ 3 -CO）（μ 3 -NCCrCp（CO）2）（6）中，Cp 4的Cr 4小号2（μ 3 -N 3的pH）（μ 3 -NCCrCp（CO）2）（7） 1和Cp 4的Cr 4 SO 2（μ 3 -NPh）（8），含有μ 3在长方体的角部-phenyltriazenido，imidocarbyne和phenylimido基团，除了μ 3 -sulfide，氧代或羰基。主要产物为的脱羰衍生物。1，即[CpCr（CO）2

  DOI：

  10.1016/j.jorganchem.2004.11.045