ethyl α-ethoxycarbonylmethyl-β-phenylaminocrotonate | 848132-46-7

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: ethyl α-ethoxycarbonylmethyl-β-phenylaminocrotonate
• 英文别名: diethyl 2-(1-anilinoethylidene)butanedioate
• CAS: 848132-46-7
• 化学式: C₁₆H₂₁NO₄
• 分子量: 291.347
• InChiKey: CSYMJAFFAQQDBH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.89
• 重原子数：
  21.0
• 可旋转键数：
  7.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  64.63
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  ethyl α-ethoxycarbonylmethyl-β-phenylaminocrotonate 以 various solvent(s) 为溶剂， 生成 ethyl (4-hydroxy-2-methylquinolin-3-yl)acetate
  参考文献：
  名称：

  New Quinoline Derivatives on the Basis of (4-Hydroxy-2-methylquinolin-3-yl)acetic Acid

  摘要：

  A procedure was developed for the synthesis of (4-hydroxy-2-methylquinolin-3-yl)acetic acid and the corresponding acyl chloride. Reactions of the latter with o-aminobenzenethiol, o-phenylenediamine, o-aminophenol, anthranilic acid, and thiosemicarbazide gave, respectively, 2-(4-hydroxy-2-methylquinolin-3ylmethyl)-1,3-benzothiazole, -benzoxazole, -benzimidazole, 2-(4-hydroxy-2-methylquinolin-3-ylmethyl)-4H3,1-benzoxazin-4-one, and 4-hydroxy-2-methyl-3-(5-sulfanyl-1H-1,2,4-triazol-3-ylmethyl)quinoline.

  DOI：

  10.1023/b:rujo.0000044555.03402.9b
• 作为产物：
  描述：

  乙酰琥珀酸二乙酯 、 苯胺 在 phosphorus pentoxide 作用下， 生成 ethyl α-ethoxycarbonylmethyl-β-phenylaminocrotonate
  参考文献：
  名称：

  New Quinoline Derivatives on the Basis of (4-Hydroxy-2-methylquinolin-3-yl)acetic Acid

  摘要：

  A procedure was developed for the synthesis of (4-hydroxy-2-methylquinolin-3-yl)acetic acid and the corresponding acyl chloride. Reactions of the latter with o-aminobenzenethiol, o-phenylenediamine, o-aminophenol, anthranilic acid, and thiosemicarbazide gave, respectively, 2-(4-hydroxy-2-methylquinolin-3ylmethyl)-1,3-benzothiazole, -benzoxazole, -benzimidazole, 2-(4-hydroxy-2-methylquinolin-3-ylmethyl)-4H3,1-benzoxazin-4-one, and 4-hydroxy-2-methyl-3-(5-sulfanyl-1H-1,2,4-triazol-3-ylmethyl)quinoline.

  DOI：

  10.1023/b:rujo.0000044555.03402.9b