(η5-C5H5)Fe(η5-C5H4CH2NCHC6H4OCH3-4) | 910212-16-7

• 英文名称: (η5-C5H5)Fe(η5-C5H4CH2NCHC6H4OCH3-4)
• CAS: 910212-16-7
• 化学式: C₁₉H₁₉FeNO
• 分子量: 333.213
• InChiKey: WWEHEWDFIQZOIT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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

• 作为反应物：
  描述：

  (η5-C5H5)Fe(η5-C5H4CH2NCHC6H4OCH3-4) 、 sodium tetrahydroborate 以 四氢呋喃 为溶剂， 以83%的产率得到N-(ferrocenylmethyl)-1-(4-methoxyphenyl)methanamine
  参考文献：
  名称：

  Synthesis, characterization of [{(N-methyl-N-benzyl)amino}methyl]ferrocenes and their cyclopalladated complexes: Crystal structure of σ-Pd[(η5-C5H5)Fe(η5-C5H3CH2N(CH3)CH2C6H4NO2-4)]Cl(PPh3)

  摘要：

  Condensation of aminomethylferrocene (1) and substituted benzaldehydes resulted in aldimines 2a-c which followed by reduction with sodium borohydride to give 3a-c. N-methylation of 3a-c with HCHO/NaCNBH3/HOAc led to 4a-c. Treatment of 4a-c with sodium palladium tetrachloride in the presence of sodium acetate afforded cleanly cyclopalladated 5a-c in which configurations consisted of the RNRC, SNSC. The preferable activation Of C-Ferrocenyl-H bond over C-Phenyl-H bond was also observed. All compounds 2-5 were characterized by elemental analysis, IR and H-1 NMR. In addition, the molecular structure of 5c was confirmed by single crystal X-ray diffraction. The possible mechanism for the formation of 5 was also discussed. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2006.05.019
• 作为产物：
  描述：

  (aminomethyl)ferrocene 、 4-甲氧基苯甲醛 以 甲醇 、 乙醇 为溶剂， 以55%的产率得到(η5-C5H5)Fe(η5-C5H4CH2NCHC6H4OCH3-4)
  参考文献：
  名称：

  Synthesis, characterization of [{(N-methyl-N-benzyl)amino}methyl]ferrocenes and their cyclopalladated complexes: Crystal structure of σ-Pd[(η5-C5H5)Fe(η5-C5H3CH2N(CH3)CH2C6H4NO2-4)]Cl(PPh3)

  摘要：

  Condensation of aminomethylferrocene (1) and substituted benzaldehydes resulted in aldimines 2a-c which followed by reduction with sodium borohydride to give 3a-c. N-methylation of 3a-c with HCHO/NaCNBH3/HOAc led to 4a-c. Treatment of 4a-c with sodium palladium tetrachloride in the presence of sodium acetate afforded cleanly cyclopalladated 5a-c in which configurations consisted of the RNRC, SNSC. The preferable activation Of C-Ferrocenyl-H bond over C-Phenyl-H bond was also observed. All compounds 2-5 were characterized by elemental analysis, IR and H-1 NMR. In addition, the molecular structure of 5c was confirmed by single crystal X-ray diffraction. The possible mechanism for the formation of 5 was also discussed. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2006.05.019