6-amino-4-ferrocenyl-2-methyl-3,4-dihydropyrimidine-5-carbonitrile | 1416854-28-8

• 英文名称: 6-amino-4-ferrocenyl-2-methyl-3,4-dihydropyrimidine-5-carbonitrile
• CAS: 1416854-28-8
• 化学式: C₁₆H₁₆FeN₄
• 分子量: 320.177
• InChiKey: BOTXZWGJCOIBPG-YQFADDPSSA-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：

  2-(ferrocenylmethylidene)malonedinitrile 、 乙醇 、 水 、 盐酸乙脒 在 sodium carbonate 作用下， 反应 8.0h， 以9%的产率得到二茂铁甲醛
  参考文献：
  名称：

  Competitive Condensation and Tandem Cyclization Reactions of 2-Cyano-3-ferrocenylacrylonitrile with Amidines in an Aqueous Medium

  摘要：

  The synthesis of a series of ferrocenyl-substituted 2-aminopyridine- and 6-amino-4,5-dihydropyridine-3,5-dicarbonitriles, 4-aminopyrimidine- and 3,4-dihydropyrimidine-5-carbonitriles by reactions of 2-cyano-3-ferrocenylacrylonitrile with amidines in aqueous medium is described. New fused 6-amino-2-ethoxy-4-ferroceny1-5-ferrocenylmethyl-5-ferrocenyl methyl-4,5dihydropyridine-3,5-dicarbonitrile was prepared in a tricomponent cyclodimerization from 2-cyano-3-ferrocenylacrylonitrile in presence of ethanol. The structures of the obtained compounds were established by IR, H-1 and C-13 NMR spectroscopy, mass-spectrometry and X-ray diffraction analysis.

  DOI：

  10.3987/com-12-12540