κ2-N,C(2)-(O-(1-phenylvinyl)hydroxylamido-C(2)-yl)-σ-phenylethynyl-bis(triisopropylphosphine)rhenium(III) tetrakis(3,5-bis(trifluoromethyl)phenyl)borate | 820243-73-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: κ2-N,C(2)-(O-(1-phenylvinyl)hydroxylamido-C(2)-yl)-σ-phenylethynyl-bis(triisopropylphosphine)rhenium(III) tetrakis(3,5-bis(trifluoromethyl)phenyl)borate
• CAS: 820243-73-0
• 化学式: C₃₂H₁₂BF₂₄*C₃₄H₅₄N₂O₂P₂Re
• 分子量: 1634.19
• InChiKey: OWRMMAZZZNHFMF-UHFFFAOYSA-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：

  [Re(nitrosyl)2(triisopropylphosphine)2][tetrakis(3,5-bis(trifluoromethyl)phenyl)borate] 、 苯乙炔 以 苯 为溶剂， 生成 κ2-N,C(2)-(O-(1-phenylvinyl)hydroxylamido-C(2)-yl)-σ-phenylethynyl-bis(triisopropylphosphine)rhenium(III) tetrakis(3,5-bis(trifluoromethyl)phenyl)borate
  参考文献：
  名称：

  Reactions of [Re(NO)₂(PR₃)₂][BAr^F₄] complexes with phenylacetylene

  摘要：

  The reaction of [Re(NO)(2)(PR3)(2)][BAr4F] (R = cyclo-C6H13 (1a), Pr-i (1b); [BAr4F](-) = [B(3,5-(CF3)(2)C6H3)(4)]) with phenylacetylene in the presence of a non-nucleophilic base, like 2,6-bis(tert-butyl)pyridine (BTBP) or (BuOK)-O-t, affords the phenylethynyl complexes [Re(CdropCPh)(NO)(2)(PR3)(2)] (R = cyclo-C6H13 (2a); Pr-i (2b)) in moderate yields. In the absence of a base, complexes 1a and 1b are transformed into the compounds [Re(CdropCPh)(CH=C(Ph)ONH)(NO)(PR3)(2)][BAr4F] (3a and 3b, respectively). The structure of complex 3a was confirmed by X-ray diffraction analysis. The latter reaction is proposed to be initiated by deprotonation of the terminal alkyne H atom by the bent nitrosyl ligand followed by the subsequent 1,3-dipolar addition of the ReN(H)O moiety to phenylacetylene.

  DOI：

  10.1023/b:rucb.0000041309.19570.1d