Fe2(CO)6(OCC(C6H5)CH2)(pentafluorobenzethiol) | 572922-82-8

• 英文名称: Fe2(CO)6(OCC(C6H5)CH2)(pentafluorobenzethiol)
• 英文别名: [Fe2(CO)6(μ-OCC(C6H5)CH2)(μ-SC6F5)
• CAS: 572922-82-8
• 化学式: C₂₁H₇F₅Fe₂O₇S
• 分子量: 610.034
• InChiKey: XFQKCGVPNYOQQM-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：

  Fe2(CO)6(OCC(C6H5)CH2)(pentafluorobenzethiol) 、 双二苯基膦甲烷 以 甲苯 为溶剂， 以20%的产率得到Fe2(CO)4(SCHC(C6H5)C(O))(bis(diphenylphosphino)methane)*0.5CH2Cl2
  参考文献：
  名称：

  Thiocarbyl ligands via elimination of pentafluorobenzene at a diiron centre: crystal structures of [Fe2(CO)4{μ-SC(Ph)CH}(μ-dppm)] and [Fe2(CO)4{μ-SCHC(Ph)C(O)}(μ-dppm)]

  摘要：

  Reaction of [Fe-2(CO)(6){mu-O=C-C(Ph)=CH2}(SC6F5)] with bis(diphenylphosphino)methane (dppm) at 110 degreesC affords the alkenyl complex [Fe-2(CO)(4)(mu-HC=CHPh)(mu-SC6F5)(mu-dppm)] together with the novel complexes [Fe-2(CO)(4){mu-SC(Ph)=CH}(mu-dppm)] and [Fe-2(CO)(4) {mu-SCH=C(Ph)C(O)}(mu-dppm)] resulting from elimination of pentafluorobenzene. Both have been characterised crystallographically, the hydrocarbyl units acting as six-electron donors. The thioalkyne complex [Fe-2(CO)(4){mu-SC(Ph)=CH}(mu-dppm)] exists as cis and trans isomers. Both are fluxional and interconvert at higher temperatures as shown by 2D NMR. (C) 2003 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(03)00135-9
• 作为产物：
  描述：

  十二羰基三铁 、 五氟苯硫酚 、 三乙胺 、 苯乙炔 以 四氢呋喃 为溶剂， 以30%的产率得到Fe2(CO)6(OCC(C6H5)CH2)(pentafluorobenzethiol)
  参考文献：
  名称：

  Thiocarbyl ligands via elimination of pentafluorobenzene at a diiron centre: crystal structures of [Fe2(CO)4{μ-SC(Ph)CH}(μ-dppm)] and [Fe2(CO)4{μ-SCHC(Ph)C(O)}(μ-dppm)]

  摘要：

  Reaction of [Fe-2(CO)(6){mu-O=C-C(Ph)=CH2}(SC6F5)] with bis(diphenylphosphino)methane (dppm) at 110 degreesC affords the alkenyl complex [Fe-2(CO)(4)(mu-HC=CHPh)(mu-SC6F5)(mu-dppm)] together with the novel complexes [Fe-2(CO)(4){mu-SC(Ph)=CH}(mu-dppm)] and [Fe-2(CO)(4) {mu-SCH=C(Ph)C(O)}(mu-dppm)] resulting from elimination of pentafluorobenzene. Both have been characterised crystallographically, the hydrocarbyl units acting as six-electron donors. The thioalkyne complex [Fe-2(CO)(4){mu-SC(Ph)=CH}(mu-dppm)] exists as cis and trans isomers. Both are fluxional and interconvert at higher temperatures as shown by 2D NMR. (C) 2003 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(03)00135-9