(η6-hexaethylbenzene)W(CO)2(isobutane-η2-C1,H1) | 1369510-23-5

• 英文名称: (η6-hexaethylbenzene)W(CO)2(isobutane-η2-C1,H1)
• CAS: 1369510-23-5
• 化学式: C₂₄H₄₀O₂W
• 分子量: 544.43
• InChiKey: UOXRIBGZTNABSF-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：

  tricarbonyl(η6-hexaethylbenzene)tungsten(0) 、 异丁烷 、 环庚烷 以 further solvent(s) 为溶剂， 生成 (η6-hexaethylbenzene)W(CO)2(isobutane-η2-C1,H1) 、 (η6-hexaethylbenzene)W(CO)2(cycloheptane)
  参考文献：
  名称：

  Observation of a Tungsten Alkane σ-Complex Showing Selective Binding of Methyl Groups Using FTIR and NMR Spectroscopies

  摘要：

  The alkane sigma-complex (HEB)W(CO)(2)-(pentane) (HEB = eta(6)-hexaethylbenzene) is produced from the UV photolysis of (HEB)W(CO)(3) in alkane solvents at low temperature. IR and H-1 and C-13 NMR spectroscopic data are reported, representing the first NMR data for a goup 6 alkane complex. Only binding of the methyl functionality of the pentane ligand was observed in (HEB)W(CO)(2)-(pentane). This contrasts with the previously reported binding of pentane to rhenium fragments, wherein both methylene and methyl groups were observed to bind, with a slight preference for binding of the former. The reason for the preference for binding through the methyl group is investigated, and the steric requirement for the pentane to adopt an unfavorable gauche conformation when bound via a methylene is identified as a contributing factor.

  DOI：

  10.1021/ja300281s