2-amino-5,8-dihydro-6-hydroxy-5,8-dioxo-4-phenyl-7-undecyl-4H-chromene-3-carbothioamide | 1374881-58-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡喃
• 英文名称: 2-amino-5,8-dihydro-6-hydroxy-5,8-dioxo-4-phenyl-7-undecyl-4H-chromene-3-carbothioamide
• 英文别名: 2-amino-6-hydroxy-5,8-dioxo-4-phenyl-7-undecyl-4H-chromene-3-carbothioamide
• CAS: 1374881-58-9
• 化学式: C₂₇H₃₄N₂O₄S
• 分子量: 482.644
• InChiKey: UBRNKWDVLWCRIQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  34
• 可旋转键数：
  12
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  148
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-氰基硫代乙酰胺 、 恩贝酸/恩贝灵 、 苯甲醛 在 zinc(II) chloride 作用下， 以 乙醇 为溶剂， 反应 5.0h， 以89%的产率得到2-amino-5,8-dihydro-6-hydroxy-5,8-dioxo-4-phenyl-7-undecyl-4H-chromene-3-carbothioamide
  参考文献：
  名称：

  Zinc chloride-catalyzed one-pot, three-component synthesis of 5,8-dihydro-5,8-dioxo-4H-chromene derivatives

  摘要：

  AbstractAn efficient zinc chloride‐catalyzed one‐pot synthesis of 5,8‐dihydro‐5,8‐dioxo‐4H‐chromene derivatives have been achieved by the reaction of 2,5‐dihydroxy‐6‐undecyl‐1,4‐bezoquinone, cyanothioacetamide, and aromaticaldehyde, in EtOH at room temperature. The structures of the products were characterized by IR, 1H‐NMR, mass spectra, and elemental analyses. J. Heterocyclic Chem., (2011).

  DOI：

  10.1002/jhet.849

文献信息

• Zinc chloride-catalyzed one-pot, three-component synthesis of 5,8-dihydro-5,8-dioxo-4H-chromene derivatives
  作者：Vakiti Srinivas、Vedula Rajeswar Rao

  DOI：10.1002/jhet.849

  日期：2012.3

  AbstractAn efficient zinc chloride‐catalyzed one‐pot synthesis of 5,8‐dihydro‐5,8‐dioxo‐4H‐chromene derivatives have been achieved by the reaction of 2,5‐dihydroxy‐6‐undecyl‐1,4‐bezoquinone, cyanothioacetamide, and aromaticaldehyde, in EtOH at room temperature. The structures of the products were characterized by IR, 1H‐NMR, mass spectra, and elemental analyses. J. Heterocyclic Chem., (2011).