[(η5-C5H5)Fe(η5-C5H4)C6H4C2(fluoren-9-one-2,7-diyl)Br] | 639087-00-6

• 英文名称: [(η5-C5H5)Fe(η5-C5H4)C6H4C2(fluoren-9-one-2,7-diyl)Br]
• CAS: 639087-00-6
• 化学式: C₃₁H₁₉BrFeO
• 分子量: 543.242
• InChiKey: XZLSANOBCAZNGJ-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：

  [(η5-C5H5)Fe(η5-C5H4)C6H4C2(fluoren-9-one-2,7-diyl)Br] 、 三甲基乙炔基硅 在 catalyst: Pd(OCOCH₃)2/CuI/P(C₆H₅)3 、 (i-C₃H₇)2NH 作用下， 以 二氯甲烷 为溶剂， 以91%的产率得到[(η5-C5H5)Fe(η5-C5H4)C6H4C2(fluoren-9-one-2,7-diyl)C2SiMe3]
  参考文献：
  名称：

  Carbon-rich organometallic materials derived from 4-ethynylphenylferrocene

  摘要：

  Using 4-ethynylphenylferrocene (1) as the building block, a new series of rigid-rod alkynylferrocenyl precursors consisting of fluoren-9-one unit, 2-bromo-7-(4-ferrocenylphenylethynyl)fluoren-9-one (2a), 2,7-bis(4-ferrocenylphenylethynyl)fluoren-9-one (2b), 2-trimethylsilylethynyl-7-(4-ferrocenylphenylethynyl)fluoren-9-one (3) and 2-ethynyl-7-(4-ferrocenylphenylethynyl)fluoren-9-one (4) have been prepared in moderate to good yields. The acetylene complex 4 is a useful precursor for the synthesis of well-defined carbon-rich- ferrocenyl heterometallic complexes, trans-[(eta(5)-C5H5)Fe(eta(5)-C5H4)C(6)H(4)Cequivalent toCRCequivalent toCPt(PEt3)(2)Ph] (5), trans-[(eta(5)- C5H5)Fe(eta(5)-C5H4)C(6)H(4)Cequivalent toCRCequivalent toCPt(PBu3)(2)Cequivalent toCRCequivalent toCC(6)H(4)(eta(5)-C5H4)Fe(eta(5)-C5H5)] (6), trans-[(eta(5)-C5H5)Fe(eta(5)-C5H4)C(6)H(4)Cequivalent to CRCequivalent toCM(dppm)(2)Cl] (M = Ru (7), Os (8)) (R = fluoren-9-one-2,7-diyl). All new complexes have been characterized by FTIR, NMR and UV-Vis spectroscopies and fast atom bombardment mass spectrometry (FABMS). The molecular structures of 1, 2a, 4, 6 and 8 have been determined by single-crystal X-ray studies where an iron-iron through-space distance of nanosized dimension (ca. 42 Angstrom) is observed in the trimetallic molecular rod 6. The electronic absorption, luminescence and electrochemical properties of these carbon-rich molecules were investigated and the data were correlated with the theoretical results obtained by the method of density functional theory. (C) 2003 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(03)00706-x
• 作为产物：
  描述：

  4-ferrocenylphenylacetylene 、 2,7-二溴-9-芴酮 在 catalyst: Pd(OCOCH₃)2/CuI/P(C₆H₅)3 、 (i-C₃H₇)2NH 作用下， 以 二氯甲烷 为溶剂， 以10%的产率得到[(η5-C5H5)Fe(η5-C5H4)C6H4C2(fluoren-9-one-2,7-diyl)Br]
  参考文献：
  名称：

  Carbon-rich organometallic materials derived from 4-ethynylphenylferrocene

  摘要：

  Using 4-ethynylphenylferrocene (1) as the building block, a new series of rigid-rod alkynylferrocenyl precursors consisting of fluoren-9-one unit, 2-bromo-7-(4-ferrocenylphenylethynyl)fluoren-9-one (2a), 2,7-bis(4-ferrocenylphenylethynyl)fluoren-9-one (2b), 2-trimethylsilylethynyl-7-(4-ferrocenylphenylethynyl)fluoren-9-one (3) and 2-ethynyl-7-(4-ferrocenylphenylethynyl)fluoren-9-one (4) have been prepared in moderate to good yields. The acetylene complex 4 is a useful precursor for the synthesis of well-defined carbon-rich- ferrocenyl heterometallic complexes, trans-[(eta(5)-C5H5)Fe(eta(5)-C5H4)C(6)H(4)Cequivalent toCRCequivalent toCPt(PEt3)(2)Ph] (5), trans-[(eta(5)- C5H5)Fe(eta(5)-C5H4)C(6)H(4)Cequivalent toCRCequivalent toCPt(PBu3)(2)Cequivalent toCRCequivalent toCC(6)H(4)(eta(5)-C5H4)Fe(eta(5)-C5H5)] (6), trans-[(eta(5)-C5H5)Fe(eta(5)-C5H4)C(6)H(4)Cequivalent to CRCequivalent toCM(dppm)(2)Cl] (M = Ru (7), Os (8)) (R = fluoren-9-one-2,7-diyl). All new complexes have been characterized by FTIR, NMR and UV-Vis spectroscopies and fast atom bombardment mass spectrometry (FABMS). The molecular structures of 1, 2a, 4, 6 and 8 have been determined by single-crystal X-ray studies where an iron-iron through-space distance of nanosized dimension (ca. 42 Angstrom) is observed in the trimetallic molecular rod 6. The electronic absorption, luminescence and electrochemical properties of these carbon-rich molecules were investigated and the data were correlated with the theoretical results obtained by the method of density functional theory. (C) 2003 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(03)00706-x