2-(ferrocenylidene)-4,5-bis(diphenylphosphino)-4-cyclopenten-1,3-dione | 952190-24-8

• 英文名称: 2-(ferrocenylidene)-4,5-bis(diphenylphosphino)-4-cyclopenten-1,3-dione
• 英文别名: 2-(ferrocenylidene)-4,5-bis(diphenylphosphino)4-cyclopenten-1,3-dione；fbpcd
• CAS: 952190-24-8
• 化学式: C₄₀H₃₀FeO₂P₂
• 分子量: 660.472
• InChiKey: MTMFZXNEDAPUFA-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

• 作为反应物：
  描述：

  [ReBr(CO)3(thf)]2 、 2-(ferrocenylidene)-4,5-bis(diphenylphosphino)-4-cyclopenten-1,3-dione 以 二氯甲烷 为溶剂， 以95%的产率得到fac-[(2-(ferrocenylidene)-4,5-bis(diphenylphosphino)4-cyclopenten-1,3-dione)monobromotricarbonylrhenium(I)]
  参考文献：
  名称：

  New rhenium(I) compounds containing the donor–acceptor diphosphine ligands 2-(ferrocenylidene)-4,5-bis(diphenylphosphino)4-cyclopenten-1,3-dione (fbpcd) and 2-(3-ferrocenylprop-2-ynylidene)-4,5-bis(diphenylphosphino)4-cyclopenten- 1,3-dione (fpbpcd): Electrochemical behavior, MO properties, and X-ray diffraction structure of fac-BrRe(CO)3(fpbpcd)

  摘要：

  Displacement of the labile THF molecules in BrRe(CO)(3)(THF)(2) (1) by the diphosphine ligands 2-(ferrocenylidene)-4,5-bis(diphenylphosphino)4-cyclopenten-1,3-dione (fbpcd) and 2-(3-ferrocenylprop-2-ynylidene)-4,5-bis(diphenylphosphino)4-cyclopenten-1,3-dione (fpbpcd) yields the mononuclear compounds fac-BrRe(CO)(3)(fbpcd) (2) and fac-BrRe(CO)3(fpbpcd) (3). respectively. The new ligand fpbpcd ligand has been synthesized from 3-ferrocenylpropynal and the parent diphosphine ligand 4,5-bis(diphenylphosphino)-4-cyclopenten-1,3-dione (bpcd) through a Knoevenagel condensation, 2 and 3 have been isolated and fully characterized by IR and NMR spectroscopies (H-1 and P-31), ESI mass spectrometry, and X-ray diffraction analysis in the case of 3. The electrochemical properties of compounds 2 and 3 have been examined by cyclic voltammetry, and the nature of the HOMO and LUMO levels in these systems has been confirmed by MO calculations at the extended Huckel level. The redox and MO data are discussed relative to the redox and orbital properties of related functionalized diphosphines based on the bpcd platform. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2009.05.049
• 作为产物：
  描述：

  二茂铁甲醛 、 4,5-bis(diphenylphosphino)-4-cyclopenten-1,3-dione 以 二氯甲烷 为溶剂， 以97%的产率得到2-(ferrocenylidene)-4,5-bis(diphenylphosphino)-4-cyclopenten-1,3-dione
  参考文献：
  名称：

  二膦配体2-（二茂铁基亚基）-4,5-双（二苯基膦基）-4-环戊烯-1,3-二酮（fbpcd）的合成和反应性研究：Os3（CO）10中桥到螯合物的异构化动力学正交金属簇HOs3（CO）9 [μ-PhP（C6H4）CC（PPh2）C（O）CCH（C5H4FeCp）C（O）的（fbpcd）和X射线衍射结构

  摘要：

  摘要二茂铁甲醛与4,5-双（二苯基膦基）-4-环戊烯-1,3-二酮（bpcd）的Knoevenagel缩合反应生成新的二膦配体2-（二茂铁亚基）-4,5-双（二苯基膦基）-4-环戊烯-1,3-dione（fbpcd）的定量产量接近。已经研究了fbpcd与活化簇1,2-Os3（CO）10（MeCN）2的反应，其中以二膦桥联簇1,2-Os3（CO）10（fbpcd）（2b）为主要反应产品。团簇2b是不稳定的，并且在加热时转变成相应的螯合异构体1，1-Os3（CO）10（fbpcd）（2c）。通过1H NMR和UV-vis光谱学研究了在313-343 K的温度范围内与2b→2c转化有关的动力学。根据观察到的激活参数，提出了一种非离解异构化过程，该过程涉及一个短暂的μ2桥联膦部分。团簇2c的近紫外线照射导致CO损失和一个辅助苯基基团的邻位金属化，从而生成氢化物团簇HOs3（CO）9 [μ-PhP（C6H4）CC（PPh2）C（O）C

  DOI：

  10.1016/j.poly.2007.03.057

文献信息

• New platinum compounds containing the diphosphine ligand 2-(ferrocenylidene)-4,5-bis(diphenylphosphino)-4-cyclopenten-1,3-dione (fbpcd): Synthesis, redox behavior, and X-ray diffraction structures of PtCl2(fbpcd) and Pt(mnt)(fbpcd)
  作者：Bhaskar Poola、Sean W. Hunt、Xiaoping Wang、Michael G. Richmond

  DOI：10.1016/j.poly.2008.09.005

  日期：2008.12

  The reaction of the redox-active diphosphine ligand 2-(ferrocenylidene)-4,5-bis(diphenylphosphino)-4-cyclopenten-1,3-dione (fbpcd) with PtCl2(1,5-cod) furnishes the platinum(II) compound PtCl2(fbpcd) (2). Treatment of 2 with disodium maleonitriledithiolate (Na(2)mnt) yields the chelating thiolate compound Pt(mnt)(fbpcd) (3). Both 2 and 3 have been fully characterized in solution by IR, UV-Vis, and NMR spectroscopies, and their molecular structures established by X-ray crystallography. The redox properties of the fbpcd ligand and compounds 2 and 3 have been investigated by cyclic voltammetry, and the composition of the HOMO and LUMO levels in these systems have been determined by extended Huckel MO calculations, the results of which are discussed with respect to electrochemical data. (C) 2008 Elsevier Ltd. All rights reserved.