(1,2-bis(diisopropylphosphino)ethane)(pentamethylcyclopentadienyl)(hydrido)iron tetraphenylborate | 157261-75-1

• 英文名称: (1,2-bis(diisopropylphosphino)ethane)(pentamethylcyclopentadienyl)(hydrido)iron tetraphenylborate
• CAS: 157261-75-1
• 化学式: C₂₄H₂₀B*C₂₄H₄₈FeP₂
• 分子量: 773.673
• InChiKey: KVDVMPWHLCKMIX-UHFFFAOYSA-N

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

• 作为产物：
  描述：

  ferrocenium hexafluorophosphate 、 [(1,2-bis(diisopropylphosphino)ethane)(pentamethylcyclopentadienyl)(hydrido)iron] 、 四苯硼钠 以 乙醇 、 二氯甲烷 为溶剂， 以>99的产率得到(1,2-bis(diisopropylphosphino)ethane)(pentamethylcyclopentadienyl)(hydrido)iron tetraphenylborate
  参考文献：
  名称：

  Half-Sandwich Halide, Alkyl, Hydride, and Related Complexes of Iron Containing the Bulky Diphosphine 1,2-Bis(diisopropylphosphino)ethane. Crystal Structure of [FeH2(C5Me5)(dippe)][BPh4]

  摘要：

  The four-coordinate iron phosphine complex [FeCl2(dippe)] (dippe = 1,2-bis(diisopropylphosphino)ethane) reacts with LiC5H5 or LiC5Me5 in thf, yielding the corresponding half-sandwich derivatives [FeCI(C5H5)(dippe)] (1) or [FeCI(C5Me5)(dippe)] (2), respectively. These complexes react with Grignard reagents RMgCl to give [FeR(C5H5)(dippe)] (R = Me (3) or CH2SiMe3 (4)) or [FeR(C5Me5)(dippe)] (R = Me (5)). If (i)PrMgCl is used, the monohydrides [FeH(C5H5)(dippe)] (6) and [FeH(C5Me5)(dippe)] (7) are obtained, presumably through a beta-elimination reaction. These hydrides are also prepared by reaction between the corresponding chloro complexes and Li[HBEt3] in thf. The monohydrides 6 and 7 undergo a one-electron oxidation by reaction with [Fe(C5H5)2][PF6], yielding the 17-electron hydrides [FeH(C5H5)(dippe)]+ and [FeH(C5Me5)(dippe)]+, isolable as tetraphenylborate salts, {FeH(C5H5)(dippe)][BPh4] (8) and [FeH(C5Me5)(dippe)][BPh4] (9). The reaction of 1 or 2 with dihydrogen in methanol, followed by addition of Na[BPh4] yielded the dihydrides [FeH2(C5H5)(dippe)][BPh4] (10) and [FeH2(C5Me5)(dippe)][BPh4] (11), respectively. No equilibrium dihydride reversible dihydrogen has been detected in these complexes, and therefore, they must be regarded as organoiron(IV) species. The crystal structure of 11 has been determined. Crystal data: monoclinic system, space group P2(1)/n, cell parameters a = 14.277(4) angstrom, b = 21.388(6) angstrom, c = 14.619(6) angstrom, beta = 101.07(3)-degrees, and Z = 4. It suggests a transoid arrangement of hydride ligands, consistent with the formulation as an iron(IV) dihydride. The vinylidene complexes [Fe=C=CHPh(C5H5)(dippe)][BPh4] (12) and [Fe=C=CHPh(C5Me5)(dippe)][BPh4] (13) were also prepared and characterized. Deprotonation of these vinylidene complexes yielded the alkynyl derivatives [Fe(C=CPh)(C5H5)(dippe)] (14) and [Fe(C=CPh)(C5H5)(dippe)] (15). All the compounds were characterized by NMR, IR, and microanalysis.

  DOI：

  10.1021/om00020a052