[Fe(CNiPr2)(CO)3(PPh3)]I | 164072-12-2

• 英文名称: [Fe(CNiPr2)(CO)3(PPh3)]I
• CAS: 164072-12-2
• 化学式: C₂₈H₂₉FeNO₃P*I
• 分子量: 641.268
• InChiKey: CMFJYYONTYTBEO-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：
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• 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

• 作为产物：
  描述：

  [Fe(η2-OCNiPr2)(CF3)(CO)2(PPh3)] 、 碘 以 乙醚 为溶剂， 以36%的产率得到[Fe(CNiPr2)(CO)3(PPh3)]I
  参考文献：
  名称：

  Carbamoyl (Carboxamido) Complexes as Precursors for Metallaoxetene, Isonitrile, and Aminomethylidyne Complexes of Iron

  摘要：

  The reaction of [Fe{C(=O)(NPr2)-Pr-i}(CO)(4)]Li with (CF3CO)(2)O in diethyl ether followed by triphenylphosphine provides carbamoyl complexes [Fe(eta(2)-(OCNPr2)-Pr-i}(CF3)(CO)(2)(PPh3)] (1) or [Fe(eta(2)-(OCNPr2)-Pr-i)(CO)(2)(PPh3)(2)](O2CCF3) (2a . O2CCF3) depending on the reaction conditions. The same procedure performed in dichloromethane provides the aminomethylidyne complex [Fe(=(CNPr2)-Pr-i)(CO)(3)(PPh3)](O2CCF3) (5 . O2CCF3) as well, as traces of [Fe(eta(2)-(OCNPr2)-Pr-i)(CO)(2)(PPh3)(2)](O2CCF3) (2a . O2CCF3). The reactions of 1 with moist AgBF4 or HBF4 provide [Fe(eta(2)-(OCNPr2)-Pr-i}(CO)(3)(PPh3)]BF4 (2b . BF4), via a putative difluorocarbene intermediate, [Fe(eta(2)-(OCNPr2)-Pr-i}(=CF2)(CO)(2)(PPh3)]BF4. In a similar manner, [Fe(eta(2)-(OCNPr2)-Pr-i)(CF3)(CO)(dppe)] (3) (obtained from 1 and dppe) reacts with HBF4(aq) to provide [Fe(eta(2)-(OCNPr2)-Pr-i}(CO)(2)(dppe)]BF4 (4 . BF4). A difluorocarbene complex is also implicated in the formation of the ferraoxetene [Fe{kappa(2)-C((NPr2)-Pr-i)OCF2}(CO)(HB(pz)(3)}] (6) (pz = pyrazol-1-yl), which results from treatment of 1 with K[HB(pz)(3)] under high dilution. Under more concentrated conditions [Fe(HB(pz)(3)}(2)] is obtained. The ferraoxetene undergoes an unusual acid hydrolysis with HBF4(aq)/CO to provide the isonitrile salt [Fe((CNPr)-Pr-i)(CO)(2){HB (pz)(3)}]PF6 (7 . PF6). The salt [Fe(=(CNPr2)-Pr-i)-(CO)(3)(PPh3)]I(5 . I) is the product of the reaction of 1 with iodine, via an as yet obscure mechanism, which may however also involve ferraoxetene intermediates.

  DOI：

  10.1021/om990385y

文献信息

• Two Counterintuitive Routes to an Iron Alkylidyne Complex
  作者：Stephen Anderson、Anthony F. Hill

  DOI：10.1021/om00004a007

  日期：1995.4

  The cationic aminomethylidyne complex [Fe(=(CNPr2)-Pr-i)(CO)(3)(PPh(3))](+) has been prepared by two unexpected routes: (i) Iodination of the carbamoyl complex [Fe(eta(2)-(OCNPr2)-Pr-i)(CF3)(CO)(2)(PPh(3))] and (ii) O-trifluoroacetylation of the carbamoylate [FeC(=O)(NPr2)-Pr-i}(CO)(4)]Li, a reaction which shows an unusual solvent dependence.