V(N-1-adamantyl)Cl2[2-(2,6-Me2C6H3)NCH2(C5H4N)] | 1221001-70-2

• 英文名称: V(N-1-adamantyl)Cl2[2-(2,6-Me2C6H3)NCH2(C5H4N)]
• CAS: 1221001-70-2
• 化学式: C₂₄H₃₀Cl₂N₃V
• 分子量: 482.37
• InChiKey: KHCLPUUXZFGFTC-BZCBTWHTSA-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

• 作为反应物：
  描述：

  V(N-1-adamantyl)Cl2[2-(2,6-Me2C6H3)NCH2(C5H4N)] 、 trimethylsilylmethyllithium 以 甲苯 为溶剂， 以74.8%的产率得到
  参考文献：
  名称：

  含（2-苯胺基甲基）吡啶配体的（金亚胺基）钒（V）二甲基配合物的合成及选择的反应：探索乙烯二聚反应中催化活性物种的氧化态

  摘要：

  V(NAd)Me-2(L) [2a, L = 2-ArNCH2(C5H4N), Ar = 2,6Me(2)C(6)H(3)], prepared from V(NAd)CL2(L) (1) by reaction with LiMe (2.0 equiv), exhibited remarkable catalytic activities for ethylene dimerization in the presence of MAO affording 1-butene with high selectivity [TOF = 1 120 000-1 530 000 H-1 (311-425 s(-1)), C4' = 97.1-98.4%], and the catalyst performances (activity, selectivity) were similar to those by the dichloride analogue (1) under the same conditions. The dimethyl complex (2a) reacted with 1.0 equiv of R'OH to yield the mono alkoxide' complexes, V(NAd)Me(OR')(L) [R' = OC(CF3)(3) (3a), OC(CH3)(CF3)(2) (3b), OC(CH3)(3) (3c)], and structures of these complexes (3a c) and 2a were determined by Xray crystallography. Reactions of 2a with [Ph3C] [B(C6F5)(4)] in Et2O and 3c with B(C6F5)(3) in THE afforded the corresponding cationic complexes confirmed by NMR spectra. Both NMR and V K-edge XANES analysis of the toluene or toluene-d(8) solution of 1 and 2a did not show any significant changes in the oxidation state upon addition of MAO, Me2AlCl, or Et(2)ACl (10 equiv). Resonances ascribed to formation of the other vanadium(V) species were observed in the V-51 NMR spectra, and no significant differences in the XANES spectra (V-K pre-edge peaks and edge) were observed from 1 or 2a upon addition of Al cocatalyst. Taking into account these results and others, it is thus suggested that cationic vanadium(V) alkyl/hydride species play a role in this catalysis.

  DOI：

  10.1021/acs.organomet.6b00727