[(1,4-diisopropyl-7-(2-pivalamidoethyl)-1,4,7-triazacyclononane)Cu(CH3CN)]O3SCF3 | 202198-35-4

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: [(1,4-diisopropyl-7-(2-pivalamidoethyl)-1,4,7-triazacyclononane)Cu(CH3CN)]O3SCF3
• 英文别名: acetonitrile;copper(1+);N-[2-[4,7-di(propan-2-yl)-1,4,7-triazonan-1-yl]ethyl]-2,2-dimethylpropanamide;trifluoromethanesulfonate
• CAS: 202198-35-4
• 化学式: CF₃O₃S*C₂₁H₄₃CuN₅O
• 分子量: 594.222
• InChiKey: WDANTWACNASRNU-UHFFFAOYSA-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：

  四(乙腈)三氟甲磺酸铜(I) 、 1,4-diisopropyl-7-(2-pivalamidoethyl)-1,4,7-triazacyclononane 以 二氯甲烷 为溶剂， 以75%的产率得到[(1,4-diisopropyl-7-(2-pivalamidoethyl)-1,4,7-triazacyclononane)Cu(CH3CN)]O3SCF3
  参考文献：
  名称：

  Synthesis and Copper Coordination Chemistry of Hindered 1,4,7-Triazacyclononane Ligands with Amide Appendages

  摘要：

  Copper complexes of the new ligands(1a) L-Piv and L-RAmR' that comprise 1,4-diisopropyl-1,4,7-triazacyclononanes linked to secondary and tertiary amide groups were prepared and characterized, with a particular view toward evaluating amide structural, spectroscopic, and potential hydrogen-bonding influences of relevance to ongoing copper-dioxygen reactivity studies. X-ray crystal structures of the Cu(I) complexes [LCu(CH3CN)]X (L = L-HAmMe, X = ClO4; L = L-Piv, X = CF3SO3) revealed typical 4-coordinate geometries with the amide dangling free, while those of the Cu(II) compounds [LCuCl]X (L = LHAmMe, X = ClO4; L = L-MeAmH, X = PF6) and [(LCu)-Cu-Piv(O-3-SCF3)]O3SCF3 showed 5-coordinate square pyramidal geometries with the amide coordinated to the metal via its carbonyl oxygen atom. Analysis of FTIR spectra of the aforementioned compounds and the carbon monoxide adducts [(LCu)-Cu-MeAmR'(CO)]SbF6 (R' = H or Me) allowed (i) identification of signatures of amide structural features, hydrogen bonding, and metal coordination and (ii) classification of the amide ligands as generally electron withdrawing relative to alkyl-substituted counterparts (e.g., 1,4,7-triisopropyl-1,4,7-triazacyclononane).

  DOI：

  10.1021/ic971115f