1-P-fluoro-2,3,4,5-tetra(ethyl)phosphole oxide | 569329-51-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 金属杂环化合物
• 英文名称: 1-P-fluoro-2,3,4,5-tetra(ethyl)phosphole oxide
• 英文别名: 2,3,4,5-Tetraethyl-1-fluoro-1H-1lambda~5~-phosphol-1-one；2,3,4,5-tetraethyl-1-fluoro-1λ5-phosphole 1-oxide
• CAS: 569329-51-7
• 化学式: C₁₂H₂₀FOP
• 分子量: 230.262
• InChiKey: LTDNYLIQZAAKMI-UHFFFAOYSA-N

物化性质

• 沸点：
  299.3±23.0 °C(Predicted)
• 密度：
  1.02±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  octaethyl-1,1'-diphosphaferrocene 、 nitrosonium tetrafluoroborate 以 二氯甲烷 为溶剂， 以60%的产率得到
  参考文献：
  名称：

  Oxidation of the octa-(ethyl)diphosphaferrocene

  摘要：

  The octa-(ethyl)-diphosphaferrocene (1) reacts with NOBF4 in dichloromethane to yield a polymer (2) featuring diphosphaferrocene ligands (1) that bridge [Fe(NO)(2)] units through their two phosphorus atom lone pairs. The X-ray crystal structure of 2 has been recorded. The formation of the 1-P-fluoro-2,3,4,5-tetra-(ethyl)-phosphole oxide as a by-product demonstrates that phosphaferrocenium (2) is sensitive towards substitution reaction at iron and nucleophilic attack at phosphorus. Oxidation of 1 with iodine in dichloromethane yielded the corresponding phosphaferrocenium cation [FeI4](-) complex (4) which has been characterized structurally. The formation of 4 probably results from the partial decomposition of the diphosphaferrocenium cation having [I-3](-) as the counter anion. (C) 2003 Published by Elsevier Science B.V.

  DOI：

  10.1016/s0022-328x(03)00054-8

文献信息

• Oxidation of the octa-(ethyl)diphosphaferrocene
  作者：Xavier Sava、Louis Ricard、F. Mathey、Pascal Le Floch

  DOI：10.1016/s0022-328x(03)00054-8

  日期：2003.4

  The octa-(ethyl)-diphosphaferrocene (1) reacts with NOBF4 in dichloromethane to yield a polymer (2) featuring diphosphaferrocene ligands (1) that bridge [Fe(NO)(2)] units through their two phosphorus atom lone pairs. The X-ray crystal structure of 2 has been recorded. The formation of the 1-P-fluoro-2,3,4,5-tetra-(ethyl)-phosphole oxide as a by-product demonstrates that phosphaferrocenium (2) is sensitive towards substitution reaction at iron and nucleophilic attack at phosphorus. Oxidation of 1 with iodine in dichloromethane yielded the corresponding phosphaferrocenium cation [FeI4](-) complex (4) which has been characterized structurally. The formation of 4 probably results from the partial decomposition of the diphosphaferrocenium cation having [I-3](-) as the counter anion. (C) 2003 Published by Elsevier Science B.V.