{η6-(4-methoxy-2-methylfluorobenzene)}tricarbonylchromium | 109926-65-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: {η6-(4-methoxy-2-methylfluorobenzene)}tricarbonylchromium
• 英文别名: tricarbonyl[η(6)-4-fluoro-3-methylanisole]chromium；carbon monoxide;chromium;1-fluoro-4-methoxy-2-methylbenzene
• CAS: 109926-65-0
• 化学式: C₁₁H₉CrFO₄
• 分子量: 276.184
• InChiKey: OKYGERXBHFKGAN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  {η6-(4-methoxy-2-methylfluorobenzene)}tricarbonylchromium 、 四氢吡咯 以87%的产率得到
  参考文献：
  名称：

  GILDAY J. P.; WIDDOWSON D. A., TETRAHEDRON LETT., 27,(1986) N 45, 5525-5528

  摘要：

  DOI：
• 作为产物：
  描述：

  4-氟-3-甲基苯甲醚 、 六羰基铬 以 氘代氯仿 为溶剂， 以45%的产率得到{η6-(4-methoxy-2-methylfluorobenzene)}tricarbonylchromium
  参考文献：
  名称：

  The prediction of the 19F NMR spectra of fluoro-substituted arenetricarbonylchromium complexes

  摘要：

  The tricarbonylchromium complexes of the following derivatives of fluorobenzene have been prepared: 2,4- and 3,5-dimethyl-, 2,4,6-trimethyl-, 3,4- and 3,5-dimethoxy- and 4-methoxy-2-methylfluorobenzene, 4-fluorocumene, 4-fluoro-N,N-dimethylaniline, 3-fluoro-2-methoxyaniline and 4-fluoro-2-methylacetophenone. Preparative, microanalytical, IR, UV-Vis and H-1 and F-19 NMR spectral data are presented for these new compounds. Both literature and new F-19 NMR spectral data have been analysed for thirty-five monofluoro complexes and seven difluoro complexes. A statistical prediction method for both these types of complexes is presented with correlation coefficients of observed versus predicted line positions of 0.986 and 0.993, respectively.

  DOI：

  10.1016/s0020-1693(00)93460-1

文献信息

• Nucleophilic substitution reactions of acetylides on substituted tricarbonyl(η6-fluoroarene)chromium and reactions of tricarbonyl[η6-(2-trimethylsilylethynyl)toluene]chromium and tricarbonyl[η6-(p-ethynyl-phenylethynyl)benzene]chromium with dicobalt octacarbonyl
  作者：Fung-E. Hong、Jenn-Woei Liaw、Bae-Jiunn Chien、Yu-Chang Chang、Chu-Chieh Lin、Sue-Lein Wang、Fen-Ling Liao

  DOI：10.1016/s0277-5387(99)00186-2

  日期：1999.9

  Nucleophilic substitution reactions of various acetylides on substituted tricarbonyl(eta(6)-fluoroarene)chromiums were pursued. The reaction presumably underwent a more complicated mechanism rather than the direct substitution on the fluorine-bearing carbon. The organometallic compounds (eta(6)-(C6H3RRR3)-R-1-R-2)Cr(CO)(3) (R-1: C=C-C6H4CH3, R-2: o-Me, R-3: H (5a), R-1: C=C-C6H4CH3, R-2: o-OMe, R-3: H (6a), R-1: C=C-C6H4CH3, R-2: m-OMe, R-3: H (6b), R-1: C=CPh, R-2: o-Me, R-3: o-OMe (8b), R-1: C=CPh, R-2: m-Me, R-3: m-OMe (8c), R-1: C=CSiMe3, R-2: o-Me, R-3: H (9a), R-1: C=C-C6H4C=CH, R-2: H, R-3: H (12), R-1: C=C-C6H4C=CH, R-2: o-Me, R-3: H (13)) as well as the organometallic dimmer [(eta(6)-o-Me-C6H4)Cr(CO)(3)(di-ethynyl)] (di-ethynyl: C=C-C6H4C=C (14)) have been synthesized from nucleophilic substitution reactions of tricarbonyl(eta(6)-fluoroarene)(chromium) compounds with suitable acetylides. The products have been characterized by spectroscopic means. In addition, (8b) and (8c) were characterized by X-ray diffraction studies. Further reactions of (9a) and (12) with appropriate amount of Co-2(CO)(8) yielded mu-alkyne bridged bimetallic complexes, Co-2(CO)(6)mu-Me3SiC=C-(o-tolueneCr(CO)(3)} (10) and (Co-2(CO)(6))(2)mu-HC=C-C6H4-C=C-(benzene)Cr(CO)(3))}(15), respectively. Both (10) and (15) were characterized by spectroscopic means as well as single crystal X-ray crystallography. The core of these molecules is quasi-tetrahedron containing a Co2C2 unit. A two-dicobalt-fragments coordinated di-enyls complex, (Co-2(CO)(6))(2)mu-HC=C-C6H4-C=C-H} (17), was synthesized from the reaction of 1,3-diethynylbenzene with Co-2(CO)(8). Crystallographic studies of (17) show that it exhibits a distorted Co2C2 quasi-tetrahedral geometry. (C) 1999 Elsevier Science Ltd. All rights reserved.