[((2,6-dimethylphenyl)N=CMe-CMe=N(2,6-dimethylphenyl))CrCl2(THF)2] | 1028736-34-6

• 英文名称: [((2,6-dimethylphenyl)N=CMe-CMe=N(2,6-dimethylphenyl))CrCl2(THF)2]
• CAS: 1028736-34-6
• 化学式: C₂₈H₄₀Cl₂CrN₂O₂
• 分子量: 559.54
• InChiKey: NYLYBVUTSXDORQ-VFXGGTGRSA-L

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：

  四氢呋喃 、 chromium dichloride 、 N,N'-bis(2,6-dimethylphenyl)butane-2,3-diimine 以 四氢呋喃 为溶剂， 以42%的产率得到[((2,6-dimethylphenyl)N=CMe-CMe=N(2,6-dimethylphenyl))CrCl2(THF)2]
  参考文献：
  名称：

  Synthesis, Characterization, and Electronic Structure of Diimine Complexes of Chromium

  摘要：

  We have prepared and structurally characterized several complexes of chromium coordinated by diimine (or 1,4-diazadiene) ligands, that is, Ar-N = C(R)-(R)C = N - Ar (L-R(Ar)) (where Ar = 2,6-diisopropylphenyl ('' iPr '') or 2,6-dimethylphenyl ('' Me '') and R = H or Me). The reaction of CO2 with L-H(iPr) gave dinuclear [(L-H(iPr))Cr](2)(mu-Cl)(3)(Cl)(THF) when isolated from Et2O; in THF solution, however, the product exists as mononuclear (L-H(iPr))CrCl2(THF)(2). Two isostructural derivatives, (L-Me(Me))CrCl2(THF)(2) and (L-H(Me))CrCl2(THF)(2), have also been prepared. Furthermore, the bis-ligand complex, (L-H(iPr))(2)Cr, has been prepared along with its reduction product, Li(THF)(4)[(L-H(iPr))(2)Cr]. We have also synthesized the tetracarbonyl complex, (L-H(iPr))Cr(CO)(4), by addition of L-H(iPr) to Cr(CO)(4)(NCCH3)(2). The structure and variable temperature magnetic susceptibility of the previously reported Cr halide dimer, [(L-H(iPr))Cr(mu-Cl)](2), is also discussed in detail. All of the diimine complexes have been characterized structurally, spectroscopically, and magnetically, and their electronic structures are discussed with the aid of density-functional theory calculations.

  DOI：

  10.1021/ic800302w