[(η5-C5H5)Fe(CO)2(η2-CH2CH(CH2)7Br)]PF6 | 1083398-22-4

• 英文名称: [(η5-C5H5)Fe(CO)2(η2-CH2CH(CH2)7Br)]PF6
• CAS: 1083398-22-4
• 化学式: C₁₆H₂₂BrFeO₂*F₆P
• 分子量: 527.065
• InChiKey: CYODWCAYWSLOCX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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：

  [(η5-C5H5)Fe(CO)2(η2-CH2CH(CH2)7Br)]PF6 、 sodium iodide 以 丙酮 为溶剂， 生成 dicarbonylcyclopentadienyliodoiron(II)
  参考文献：
  名称：

  Synthesis, characterization and reactions of the transition metal halogenoalkyl carbocation complexes [Cp(CO)2M{η2-CH2CH(CH2)nX}]PF6 (n=1–8, 10, M=Fe; n=3, 4 M=Ru; X=Br, I)

  摘要：

  The halogenoalkyl complexes [Cp(CO)(2)M{(CH(2))(n)X}] (n = 3-10, 12, M = Fe; n = 5, 6, M = Ru, X = Br, I) react with Ph(3)CPF(6) in dry CH(2)Cl(2) to give the corresponding carbocation complexes [Cp(CO)(2)M{eta(2)-(CH(2)CH(CH(2))(n) (2)X}] PF(6) in high yields. NMR evidence indicates that the metals form metallacyclopropane type structures with the carbocation ligand. The reactions of some of the cationic complexes with NaI, PPh(3), Na[Cp(CO)(2)Fe] and Et(3)N are discussed. NaI and Na[Cp(CO)(2)Fe] displace the halogeno-olefin, while PPh(3) adds at the beta-CH(delta+) giving the unstable phosphonium adducts [Cp(CO)(2)Fe{CH(2)CH(PPh(3))(CH(2))(n) (2)X}] PF(6) which decompose to the halogeno-olefins and the cationic PPh(3) complex [Cp(CO)(2)Fe(PPh(3))](+). Et(3)N causes allylic deprotonation forming internal olefin complexes of the type [Cp(CO)(2-) Fe{CH(2)CH=CH(CH(2))n (3)X}] PF(6). (C) 2008 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2008.07.041
• 作为产物：
  描述：

  {iron(carbonyl)2(η-cyclopentadienyl)(CH2)9Br} 、 tritylium hexafluorophosphate 以 二氯甲烷 为溶剂， 以72%的产率得到[(η5-C5H5)Fe(CO)2(η2-CH2CH(CH2)7Br)]PF6
  参考文献：
  名称：

  Synthesis, characterization and reactions of the transition metal halogenoalkyl carbocation complexes [Cp(CO)2M{η2-CH2CH(CH2)nX}]PF6 (n=1–8, 10, M=Fe; n=3, 4 M=Ru; X=Br, I)

  摘要：

  The halogenoalkyl complexes [Cp(CO)(2)M{(CH(2))(n)X}] (n = 3-10, 12, M = Fe; n = 5, 6, M = Ru, X = Br, I) react with Ph(3)CPF(6) in dry CH(2)Cl(2) to give the corresponding carbocation complexes [Cp(CO)(2)M{eta(2)-(CH(2)CH(CH(2))(n) (2)X}] PF(6) in high yields. NMR evidence indicates that the metals form metallacyclopropane type structures with the carbocation ligand. The reactions of some of the cationic complexes with NaI, PPh(3), Na[Cp(CO)(2)Fe] and Et(3)N are discussed. NaI and Na[Cp(CO)(2)Fe] displace the halogeno-olefin, while PPh(3) adds at the beta-CH(delta+) giving the unstable phosphonium adducts [Cp(CO)(2)Fe{CH(2)CH(PPh(3))(CH(2))(n) (2)X}] PF(6) which decompose to the halogeno-olefins and the cationic PPh(3) complex [Cp(CO)(2)Fe(PPh(3))](+). Et(3)N causes allylic deprotonation forming internal olefin complexes of the type [Cp(CO)(2-) Fe{CH(2)CH=CH(CH(2))n (3)X}] PF(6). (C) 2008 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2008.07.041