2-imino-N-[6-[(2-imino-4-methyl-1-oxaspiro[4.5]dec-3-ene-3-carbonyl)amino]hexyl]-4-methyl-1-oxaspiro[4.5]dec-3-ene-3-carboxamide | 1427171-42-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氢呋喃
• 英文名称: 2-imino-N-[6-[(2-imino-4-methyl-1-oxaspiro[4.5]dec-3-ene-3-carbonyl)amino]hexyl]-4-methyl-1-oxaspiro[4.5]dec-3-ene-3-carboxamide
• CAS: 1427171-42-3
• 化学式: C₂₈H₄₂N₄O₄
• 分子量: 498.666
• InChiKey: FMGIQAZZCBXMGT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  36
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  124
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-imino-N-[6-[(2-imino-4-methyl-1-oxaspiro[4.5]dec-3-ene-3-carbonyl)amino]hexyl]-4-methyl-1-oxaspiro[4.5]dec-3-ene-3-carboxamide 在 盐酸 作用下， 以 乙醇 、 水 为溶剂， 反应 3.0h， 以85%的产率得到4-methyl-N-[6-[(4-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-3-carbonyl)amino]hexyl]-2-oxo-1-oxaspiro[4.5]dec-3-ene-3-carboxamide
  参考文献：
  名称：

  Synthesis and chemical transformations of bis-2-imino-2,5-dihydrofurans

  摘要：

  New N,N'-(alkanediyl)bis(2-imino-2,5-dihydrofuran-3-carboxamides) have been synthesized by the condensation of tertiary alpha-hydroxy ketones with N,N'-(alkanediyl)bis(2-cyanoacetamides). The obtained products were transformed to the corresponding bisiminium chlorides, 2-oxo-, 2-dicyano-methylene and 2-N-methylimino derivatives.

  DOI：

  10.1007/s10593-013-1182-8
• 作为产物：
  描述：

  在 potassium carbonate 作用下， 生成 2-imino-N-[6-[(2-imino-4-methyl-1-oxaspiro[4.5]dec-3-ene-3-carbonyl)amino]hexyl]-4-methyl-1-oxaspiro[4.5]dec-3-ene-3-carboxamide
  参考文献：
  名称：

  Synthesis and chemical transformations of bis-2-imino-2,5-dihydrofurans

  摘要：

  New N,N'-(alkanediyl)bis(2-imino-2,5-dihydrofuran-3-carboxamides) have been synthesized by the condensation of tertiary alpha-hydroxy ketones with N,N'-(alkanediyl)bis(2-cyanoacetamides). The obtained products were transformed to the corresponding bisiminium chlorides, 2-oxo-, 2-dicyano-methylene and 2-N-methylimino derivatives.

  DOI：

  10.1007/s10593-013-1182-8

文献信息

• Synthesis and chemical transformations of bis-2-imino-2,5-dihydrofurans
  作者：A. A. Avetisyan、L. V. Karapetyan

  DOI：10.1007/s10593-013-1182-8

  日期：2013.2

  New N,N'-(alkanediyl)bis(2-imino-2,5-dihydrofuran-3-carboxamides) have been synthesized by the condensation of tertiary alpha-hydroxy ketones with N,N'-(alkanediyl)bis(2-cyanoacetamides). The obtained products were transformed to the corresponding bisiminium chlorides, 2-oxo-, 2-dicyano-methylene and 2-N-methylimino derivatives.