μ-[(1,2-η,κO(3):3,4-η,κO(2))-dimethyl 1,3-butadiene-2,3-dicarboxylato]bis(tricarbonyliron) | 258265-99-5

• 英文名称: μ-[(1,2-η,κO(3):3,4-η,κO(2))-dimethyl 1,3-butadiene-2,3-dicarboxylato]bis(tricarbonyliron)
• CAS: 258265-99-5
• 化学式: C₁₄H₁₀Fe₂O₁₀
• 分子量: 449.921
• InChiKey: DNYYJOVAHUJKBC-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：

  diiron nonacarbonyl 、 dimethyl 1,3-butadiene-2,3-dicarboxylate 以 1,4-二氧六环 为溶剂， 以62%的产率得到tricarbonyl(η(4)-dimethyl 1,3-butadiene-2,3-dicarboxylato-O)iron
  参考文献：
  名称：

  Tricarbonyliron complexes derived from dimethyl 1,3-butadiene-2,3-dicarboxylate: formation of [Fe(CO)₃]₂–dimethyl 1,3-butadiene-2,3-dicarboxylate

  摘要：

  Treatment of dimethyl 1,3-butadiene-2,3-dicarboxylate with Fe-2(CO)(9) provided the corresponding tricarbonyl(eta(4)-dimethyl 1,3-butadiene-2,3-dicarboxylato-O)iron, [Fe(C8H10O4)(CO)(3)], (II), as the main product and the novel mu-[(1,2-eta,kappa O-3:3,4-eta,kappa O-2)-dimethyl 1,3-butadiene-2,3-dicarboxylato]bis(tricarbonyliron), [Fe-2(C8H10O4)(CO)(6)], (III). In the crystal structure of (II), the electron-deficient butadiene complexes with one Fe(CO)(3) group, whereas in (III), the butadiene adopts an unusual conformation and forms a complex with two Fe(CO)(3) groups. In (III), each Fe atom possesses a trigonal bipyramidal geometry, with one olefinic bond and two carbonyl ligands occupying the basal positions, and the keto oxygen of the ester and the other carbonyl ligand occupying apical positions.

  DOI：

  10.1107/s0108270199011695