[N-(β-alanyl ethyl ester)-4-ferrocenyl-2,6-dimethylpyridinium](PF6) | 171562-96-2

• 英文名称: [N-(β-alanyl ethyl ester)-4-ferrocenyl-2,6-dimethylpyridinium](PF6)
• CAS: 171562-96-2
• 化学式: C₂₂H₂₆FeNO₂*F₆P
• 分子量: 537.265
• InChiKey: WSKLQZZOAIFXSI-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：

  3-氨基丙酸乙酯 、 4-ferrocenyl-2,6-dimethylpyrylium hexafluorophosphate 以 丙酮 为溶剂， 以46%的产率得到[N-(β-alanyl ethyl ester)-4-ferrocenyl-2,6-dimethylpyridinium](PF6)
  参考文献：
  名称：

  有机金属化合物作为潜在的蛋白质标签：带有（C6H5）Cr（CO）3，（C5H4）Mn（CO）3和二茂铁取代基的吡啶鎓和吡啶鎓盐

  摘要：

  A series of 2,6-dimethyl- or 2,6-diphenylpyrylium cations, [R'-C(5)H(2)R ''O-2](+), which bear organometallic substituents at the 4-position, have been synthesized. The molecules in which R' = (C6H5)Cr(CO)(3), R '' = Me, 1, R' = (C5H4)Mn(CO)(3), R '' = Ph, 8, R' = (C5H4)Fe(C5H5), R '' = Me, 9, and R' = (C5H4)Re(CO)(3), R '' = Ph, 10, have been identified spectroscopically, and the complexes 1 and 8 have also been characterized by X-ray crystallography as CrC16H13O4+ PF6- and MnC25H16O4+ BF4-, respectively. The pi-complexed ring bearing either a Cr(CO)(3) or a Mn(CO)(3) moiety is almost coplanar with the pyrylium ring, as are the phenyl rings in 8. The structural and spectroscopic data indicate that the delocalization of the positive charge on the pyrylium ring onto the metal is rather minimal. These pyrylium salts react readily with benzylamine, or with beta-alanine ethyl ester, to form the corresponding pyridinium salts. In particular, the ferrocenyl derivative, 9, yields a crystalline pyridinium salt, 15, with the ethyl ester of beta-alanine.

  DOI：

  10.1021/om00011a051