[(cyclopentadienyl)Cr(III)I(2,6-(Me2CH)2C6H3NC(Me)CH(Me)NC6H4OMe)] | 1262528-61-9

• 英文名称: [(cyclopentadienyl)Cr(III)I(2,6-(Me2CH)2C6H3NC(Me)CH(Me)NC6H4OMe)]
• 英文别名: [CpCrI(DppNC(Me)CHC(Me)NC6H4OMe)]
• CAS: 1262528-61-9
• 化学式: C₂₉H₃₆CrIN₂O
• 分子量: 607.518
• InChiKey: IONDRMZGRGRHNW-AFELWHTASA-M

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：
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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：

  [(cyclopentadienyl)Cr(II)(2,6-(Me2CH)2C6H3NC(Me)CH(Me)NC6H4OMe)] 、 碘 以 乙醚 为溶剂， 以40%的产率得到[(cyclopentadienyl)Cr(III)I(2,6-(Me2CH)2C6H3NC(Me)CH(Me)NC6H4OMe)]
  参考文献：
  名称：

  Electronic Effects in the Oxidative Addition of Iodomethane with Mixed-Aryl β-Diketiminate Chromium Complexes

  摘要：

  The Cr-II complexes CpCr[DppNC(Me)CHC(Me)NC6H4Y] (1; Dpp = 2,6-(Me2CH)(2)C6H3) were used to prepare the corresponding Cr-III iodo (2) and methyl (3) mixed-aryl beta-diketiminate compounds with Y = OMe (a), CH3 (b), H (c), CF3 (d). Oxidation of the Cr-II precursors with iodine gave CpCr[DppNC(Me)CHC(Me)NC6H4Y](I) (2a-d). The Cr-III methyl compounds 3a-d were prepared by reaction of the Cr-II complexes with iodomethane followed by MeMgI. The Cr-III chloride complexes 4a-d were synthesized by salt metathesis of isolated CpCrCl2(THF) with the appropriate deprotonated mixed-aryl beta-diketiminate. The structures of the paramagnetic complexes 1b,c, 2a,b, 3a-d, and 4a-d were determined by single-crystal X-ray diffraction. The rate constants for the single-electron oxidative addition of iodomethane with 1a-d were determined by monitoring the reaction by UV-vis spectroscopy. The rate constants correlated well with the electronic parameters of the Y substituents (rho = -0.36). The rate constants for 1a-d were an order of magnitude greater than those previously obtained for the same reaction with CpCr[(DppNCMe)(2)CH] and related ortho-disubstituted symmetric beta-diketiminate complexes.

  DOI：

  10.1021/om100961f