bis(η(5)-pentamethylcyclopentadienyl)(1,4-bis(4-methylphenyl)-2,3-diphenyl-1,4-diazabuta-1,3-diene)yttrium | 172219-72-6

• 英文名称: bis(η(5)-pentamethylcyclopentadienyl)(1,4-bis(4-methylphenyl)-2,3-diphenyl-1,4-diazabuta-1,3-diene)yttrium
• 英文别名: bis(η(5)-pentamethylcyclopentadienyl)-1,4-bis(4-methylphenyl)-2,3-diphenyl-1,4-diaza-buta-1,3-dien)yttrium
• CAS: 172219-72-6
• 化学式: C₄₈H₅₄N₂Y
• 分子量: 747.876
• InChiKey: ZZNLZUUIENBCDJ-CRLMKPFESA-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

• 作为产物：
  描述：

  benzilbisanile 、 bis(μ-chloro)-bis(diethyl ether)-Li-bis(pentamethylcyclopentadienyl)-yttrium 、 1,4-di(p-tolyl)-2,3-diphenyl-1,4-diazabuta-1,3-diene 在 Na 作用下， 以 四氢呋喃 为溶剂， 以23%的产率得到bis(η(5)-pentamethylcyclopentadienyl)(1,4-bis(4-methylphenyl)-2,3-diphenyl-1,4-diazabuta-1,3-diene)yttrium
  参考文献：
  名称：

  Synthese und charakterisierung von Cp2∗M(DAD)-komplexen (M = Y oder La) : Molekülstruktur von Cp2∗Y[N(C6H4-4-Me) = C(Ph)C(Ph) = N(C6H4-4-Me)]

  摘要：

  The treatment of (eta(5)-C(5)Me(5))(2)La(mu-Cl)(2)K(dme)(2) (3) with an equimolar amount of Na-2(DAD)[DAD=(Ph)N=C(Ph)C(Ph)=N(Ph)] in the presence of DAD or with two equivalents of Na(DAD) results in the formation of the ionic complex [Na(DAD)][(eta(5)C(5)Me(5))(2)La(DAD)] (4), which has been characterized by IR and NMR spectroscopy. Complex 4 exhibits dynamic NMR spectra indicating rapid migration of the (eta(5)-C(5)Me(5))(2)La unit from one side of the reduced DAD ligand to the other. (eta(5)-C(5)Me(5))(2)Y(mu-Cl)(2)Li(OEt(2))(2) (5) reacts with Na(DAD)[DAD=(Me-4-C6H4)-N=C(Ph)C(Ph)=N(Me-4-C6H4)] to yield dark-red crystals of the complex (eta(5)-C(5)Me(5))(2)Y(DAD) (6). Complex 6 is monoclinic, of space group C2/c (No. 15), with Z = 4, with a = 1345.2(3), b = 1702.9(2) and c = 1811.3(2) pm and with beta = 106.73(1)degrees. The structure was refined to R = 0.040 for 2399 observed reflections (F-0 > 4 sigma(F-0)). The DAD ligand in 6 is reduced to the radical anion and forms a planar five-membered Y(N-C-C-N) ring.

  DOI：

  10.1016/0022-328x(95)05646-7