[(η(5)-C5H5)Fe(CO)2(SC6H2(i)Pr3-2,4,6)] | 220313-97-3

• 英文名称: [(η(5)-C5H5)Fe(CO)2(SC6H2(i)Pr3-2,4,6)]
• CAS: 220313-97-3
• 化学式: C₂₂H₂₈FeO₂S
• 分子量: 412.376
• InChiKey: PFLBVEWKOCDVDJ-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：

  [(η(5)-C5H5)Fe(CO)2(SC6H2(i)Pr3-2,4,6)] 、 2-(二苯基膦基)乙基三乙氧基硅烷 以 二氯甲烷 为溶剂， 以24%的产率得到[(η(5)-C5H5)Fe(CO)[Ph2P(CH2)2Si(OEt)3](SC6H2(i)Pr3-2,4,6)]
  参考文献：
  名称：

  Iron carbonyls with bulky thiolate ligands: crystal structures of [Fe2(CO)6(μ-SC6H2-2,4,6)2] and (C6H2-2,4,6)2S2

  摘要：

  The reaction of Fe-3(CO)(12) and bulky thiols HSR (R = (C6H2Pr3)-Pr-i-2,4,6; C6H2Me3-2,4,6) in toruene yielded compounds [Fe-2(CO)(6)(mu-SR)(2)] (R = (C6K2Pr3)-Pr-i-2,4,6 (1), C6H2Me3-2,4,6 (2)). The substitution of one carbonyl by the phosphine Ph2P(CH2)(2)Si(OEt)(3) in complex 1 afforded {Fe-2(Co)(5)[Ph2P(CH2)(2)Si(OEt)(3)](mu-(SC6H2Pr3)-Pr-i-2,4,6)(2)} (3). Mononuclear compounds [(eta(5)-C5H5)Fe(Co)(2)((SC6H2Pr3)-Pr-i-2,4,6)] (4) and {(eta(5)-C5H5)Fe(Co)[Ph2P(CH2)(2)Si(OEt)(3)]((SC6H2Pr3)-Pr-i-2,4,6)} (5) have also been obtained. Compound 1 has been studied by X-ray diffraction and the structure determined reveals a distorted octahedron geometry around each iron atom and confirms the anti arrangement of R substituents, R = (C6H2Pr3)-Pr-i-2,4,6, in the molecule. The preparation of thiol (HSC6H2Pr3)-Pr-i-2,4,6 yielded the disulfide ((C6H2Pr3)-Pr-i-2,4,6)(2)S-2 as a by-product, whose structure has been solved by X-ray diffraction. (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0020-1693(98)00265-5
• 作为产物：
  描述：

  dicarbonylcyclopentadienyliodoiron(II) 、 2,4,6-Triisopropylthiophenol 在 BuLi 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 以51%的产率得到[(η(5)-C5H5)Fe(CO)2(SC6H2(i)Pr3-2,4,6)]
  参考文献：
  名称：

  Iron carbonyls with bulky thiolate ligands: crystal structures of [Fe2(CO)6(μ-SC6H2-2,4,6)2] and (C6H2-2,4,6)2S2

  摘要：

  The reaction of Fe-3(CO)(12) and bulky thiols HSR (R = (C6H2Pr3)-Pr-i-2,4,6; C6H2Me3-2,4,6) in toruene yielded compounds [Fe-2(CO)(6)(mu-SR)(2)] (R = (C6K2Pr3)-Pr-i-2,4,6 (1), C6H2Me3-2,4,6 (2)). The substitution of one carbonyl by the phosphine Ph2P(CH2)(2)Si(OEt)(3) in complex 1 afforded {Fe-2(Co)(5)[Ph2P(CH2)(2)Si(OEt)(3)](mu-(SC6H2Pr3)-Pr-i-2,4,6)(2)} (3). Mononuclear compounds [(eta(5)-C5H5)Fe(Co)(2)((SC6H2Pr3)-Pr-i-2,4,6)] (4) and {(eta(5)-C5H5)Fe(Co)[Ph2P(CH2)(2)Si(OEt)(3)]((SC6H2Pr3)-Pr-i-2,4,6)} (5) have also been obtained. Compound 1 has been studied by X-ray diffraction and the structure determined reveals a distorted octahedron geometry around each iron atom and confirms the anti arrangement of R substituents, R = (C6H2Pr3)-Pr-i-2,4,6, in the molecule. The preparation of thiol (HSC6H2Pr3)-Pr-i-2,4,6 yielded the disulfide ((C6H2Pr3)-Pr-i-2,4,6)(2)S-2 as a by-product, whose structure has been solved by X-ray diffraction. (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0020-1693(98)00265-5