methyl 5,6-tetramethylene-3-cyano-2-(3-ethylureido)pyridine-4-carboxylate | 384858-72-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: methyl 5,6-tetramethylene-3-cyano-2-(3-ethylureido)pyridine-4-carboxylate
• 英文别名: Quinoline-4-carboxylic acid, 5,6,7,8-tetrahydro-3-cyano-2-ethylaminocarbonylamino-, methyl ester；methyl 3-cyano-2-(ethylcarbamoylamino)-5,6,7,8-tetrahydroquinoline-4-carboxylate
• CAS: 384858-72-4
• 化学式: C₁₅H₁₈N₄O₃
• 分子量: 302.333
• InChiKey: KJLRSAMVWOMELA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  104
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  异氰酸乙酯 、 methyl 2-amino-3-cyano-5,6-tetramethylene-4-pyridinecarboxylate 在 zinc(II) chloride 作用下， 以 1,4-二氧六环 为溶剂， 以54%的产率得到methyl 5,6-tetramethylene-3-cyano-2-(3-ethylureido)pyridine-4-carboxylate
  参考文献：
  名称：

  Alkyl 2-amino-5,6-dialkyl-3-cyanopyridine-4-carboxylates in reactions with electrophilic reagents

  摘要：

  In reaction of alkyl 2-amino-5,6-dialkyl-3-cyanopyridine-4-carboxylates with isocyanates formed unstable ureas, and with nitrous acid at 60-70 C alkyl 5,6-dialkyl-2-oxo-1,2-dihydro-4-pyidinecarboxylates were obtained. It was shown for the latter that their reactions with organic acids and amides occurred at the cyano group, and the alkaline hydrolysis involved the ester group.

  DOI：

  10.1134/s1070428007100223

文献信息

• Alkyl 2-amino-5,6-dialkyl-3-cyanopyridine-4-carboxylates in reactions with electrophilic reagents
  作者：A. N. Vasil’ev、A. N. Lyshchikov、O. E. Nasakin、S. A. Paramonov、Ya. S. Kayukov

  DOI：10.1134/s1070428007100223

  日期：2007.10

  In reaction of alkyl 2-amino-5,6-dialkyl-3-cyanopyridine-4-carboxylates with isocyanates formed unstable ureas, and with nitrous acid at 60-70 C alkyl 5,6-dialkyl-2-oxo-1,2-dihydro-4-pyidinecarboxylates were obtained. It was shown for the latter that their reactions with organic acids and amides occurred at the cyano group, and the alkaline hydrolysis involved the ester group.