methyl 3-[(4-methylphenyl)amino]-1-oxo-1H-indene-2-carboxylate | 1073909-39-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚和异茚
• 英文名称: methyl 3-[(4-methylphenyl)amino]-1-oxo-1H-indene-2-carboxylate
• 英文别名: methyl 1-(4-methylanilino)-3-oxoindene-2-carboxylate
• CAS: 1073909-39-3
• 化学式: C₁₈H₁₅NO₃
• 分子量: 293.322
• InChiKey: SXNMUTLDFVBFSW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.19
• 重原子数：
  22.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  55.4
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  甲醇 、 以 二氯甲烷 为溶剂， 反应 4.0h， 以84%的产率得到methyl 3-[(4-methylphenyl)amino]-1-oxo-1H-indene-2-carboxylate
  参考文献：
  名称：

  Enamino Derivatives of 1,3-Dioxoindane-2-carboxylic Acid

  摘要：

  Although 1,3-dioxoindane-2-carboxylic acid is highly unstable, its enamino derivatives can be isolated by careful hydrolysis of their esters with 2,4-dihydroxy-1,4-naphthoquinone. Crystal structure determination reveals the formation of two intramolecular hydrogen bonds. offering thus a possible explanation for the stability of these acids.

  DOI：

  10.1021/jo8014903

文献信息

• Enamino Derivatives of 1,3-Dioxoindane-2-carboxylic Acid
  作者：Elizabeth Malamidou-Xenikaki、Spyros Spyroudis、Maria Tsanakopoulou、Harald Krautscheid

  DOI：10.1021/jo8014903

  日期：2008.11.7

  Although 1,3-dioxoindane-2-carboxylic acid is highly unstable, its enamino derivatives can be isolated by careful hydrolysis of their esters with 2,4-dihydroxy-1,4-naphthoquinone. Crystal structure determination reveals the formation of two intramolecular hydrogen bonds. offering thus a possible explanation for the stability of these acids.