| 185343-36-6

• CAS: 185343-36-6
• 化学式: BF₄*CH₄O*C₂₁H₂₈FeN₃O₂
• 分子量: 529.166
• InChiKey: PXRGVYUTVMKKRS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  氟硼酸钠 、 N,N-dimethylaminomethylferrocene 、 1-(3-溴丙基)胸腺嘧啶 以 甲醇 为溶剂， 以52%的产率得到
  参考文献：
  名称：

  Metallocene–nucleobase conjugates. Synthesis, structure and nucleic acid binding

  摘要：

  The ferrocenylnucleobase conjugates [Fe(eta(5)-C5H5){eta(5)-C(4)H(4)CH(2)NMe(2)CH(2)CH(2)CH(2)-NC(O)NHC(O)CMeCH}][BF4] 1 and [Fe(eta(5)-C5H5){eta(5)-C5H4CH2[C5H2N4(NH2)]}] 2 of thymine and adenine respectively, have been prepared and their crystal and molecular structures determined. The molecular packing of the two compounds differs markedly in terms of intermolecular hydrogen-bonding interactions. In 1 such interactions are confined to discrete cation ... anion ... solvate units, whereas in 2 the hydrogen-bonding patterns are extensive and involve both the Watson-Crick and Hoogsteen donor and acceptor sites. Electrochemical studies of the interaction of 1 with nucleic acids showed that the incorporation of this single nucleoside base with the metallocene moiety enhances the binding in aqueous solution compared to a cationically charged derivative devoid of this functionality. Moreover, with immobilised nucleic acid, binding was observed exclusively for the conjugate 1.

  DOI：

  10.1039/dt9960004115