(2,2,6,6-tetramethyl-3,5-bis(2,6-diisopropylphenylimido)hept-4-yl)(N-methylpyrrolidone)iron(II) chloride | 1202678-05-4

• 英文名称: (2,2,6,6-tetramethyl-3,5-bis(2,6-diisopropylphenylimido)hept-4-yl)(N-methylpyrrolidone)iron(II) chloride
• CAS: 1202678-05-4
• 化学式: C₄₀H₆₂ClFeN₃O
• 分子量: 692.252
• InChiKey: ATNJMSALGUYWSI-YDRIMNBDSA-M

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：

  N-甲基吡咯烷酮 、 (2,2,6,6-tetramethyl-3,5-bis(2,6-diisopropylphenylimido)hept-4-yl)iron(II) chloride 以 乙醚 为溶剂， 以71%的产率得到(2,2,6,6-tetramethyl-3,5-bis(2,6-diisopropylphenylimido)hept-4-yl)(N-methylpyrrolidone)iron(II) chloride
  参考文献：
  名称：

  Coordination of N-methylpyrrolidone to iron(II)

  摘要：

  The use of NMP (N-methylpyrrolidone) as a cosolvent has been shown to improve the yield of iron-catalyzed cross-coupling reactions, but surprisingly there are no iron complexes of NMP in the literature. This paper reports two novel NMP complexes of iron(II): Fe3Cl6(NMP)(8) and (LFe)-Fe-tBu(NMP)Cl (L-tBu = bulky beta-diketiminate ligand). The X-ray crystal structure of Fe3Cl6(NMP)(8) shows an octahedral Fe(NMP)(6)(2+) cation and two tetrahedral FeCl3(NMP) anions. H-1 NMR spectra show that the NMP ligands are labile, exchanging rapidly on the NMR time scale. The beta-diketiminate complex has a trigonal pyramidal geometry with the NMP in an axial position. The use of NMP improves the yield of the catalytic cross-coupling of methyl 4-chlorobenzoate and 1-hexylmagnesium bromide using these and other iron complexes as precatalysts. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2009.09.005