[Sc(III)2(κ2-(2,6-(i-Pr)2C6H3)NC(t-butyl)CHC(t-butyl)N(2,6-(i-Pr)2C6H3))2(μ-CH3COO)3](CH3COO(B(C6F5)3)2) | 1354509-42-4

• 英文名称: [Sc(III)2(κ2-(2,6-(i-Pr)2C6H3)NC(t-butyl)CHC(t-butyl)N(2,6-(i-Pr)2C6H3))2(μ-CH3COO)3](CH3COO(B(C6F5)3)2)
• CAS: 1354509-42-4
• 化学式: C₃₈H₃B₂F₃₀O₂*C₇₆H₁₁₅N₄O₆Sc₂
• 分子量: 2353.7
• InChiKey: JCJLLDDITSHAJI-JVECJQRRSA-K

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：

  [Sc(III)(OCOMe)2(κ2-(2,6-(i-Pr)2C6H3)NC(t-butyl)CHC(t-butyl)N(2,6-(i-Pr)2C6H3))] 、 三(五氟苯基)硼烷 以 氘代甲苯 为溶剂， 生成 [Sc(III)2(κ2-(2,6-(i-Pr)2C6H3)NC(t-butyl)CHC(t-butyl)N(2,6-(i-Pr)2C6H3))2(μ-CH3COO)3](CH3COO(B(C6F5)3)2)
  参考文献：
  名称：

  Reactivity of Scandium β-Diketiminate Alkyl Complexes with Carbon Dioxide

  摘要：

  The reactions of two highly air- and moisture-sensitive scandium bis(alkyls) supported by a bulky beta-diketiminato (nacnac) ligand with carbon dioxide are described. [kappa(2)-ArNC(Bu-t)CHC(Bu-t)NAr]ScR2 (Ar = 2,6-(Pr2C6H3)-Pr-t; R = CH3, 1a; R = CH2SiMe3, 1b) react rapidly with CO2 to give mixtures of mono- and bis(carboxylato) insertion products 2a/2b and 3a/3b depending on the stoichiometry and conditions of the reaction. Compound 2a (R = CH3) is a dimeric complex with bridging acetato groups, as determined by X-ray crystallography. These compounds were characterized by NMR spectroscopy, and 3a could be isolated in pure form. Treatment of these compounds with excess CO2 resulted in addition to the central carbon of the Sc(nacnac) six-membered ring and displacement of the nitrogen donors to yield dimeric scandium carboxylates 4a/4b; compound 4b was characterized by X-ray crystallography. Reactions of the nacnac scandium cations formed upon abstraction of one or two methides from la using B(C6F5)(3) with CO2 were also explored. Although the products were qualitatively more thermally robust, eventually ligand displacement occurred in these cationic acetato complexes as well. Nevertheless, insertion products were characterizable in solution using NMR spectroscopy. Overall, this study shows the facility with which CO2 is taken up by scandium alkyls but that the nacnac ligand framework is too reactive to support chemistry aimed at catalytic conversion of CO2 into other products.

  DOI：

  10.1021/om2012002