isopropyl 2-hydroxy-4,5-dioxo-1-phenyl-3-[(Z)-phenyl(phenylamino)methylidene]pyrrolidine-2-carboxylate | 1174418-05-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: isopropyl 2-hydroxy-4,5-dioxo-1-phenyl-3-[(Z)-phenyl(phenylamino)methylidene]pyrrolidine-2-carboxylate
• 英文别名: (Z)-isopropyl 2-hydroxy-4,5-dioxo-1-phenyl-3-[phenyl(phenylamino)methylene]pyrrolidine-2-carboxylate；propan-2-yl (3Z)-3-[anilino(phenyl)methylidene]-2-hydroxy-4,5-dioxo-1-phenylpyrrolidine-2-carboxylate
• CAS: 1174418-05-3
• 化学式: C₂₇H₂₄N₂O₅
• 分子量: 456.498
• InChiKey: HLBPZNIIRRWJHH-GHVJWSGMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  34
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  95.9
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  苯胺 、 4-isopropoxalyl-1,5-diphenyl-2,3-dihydro-2,3-pyrroledione 以 氯仿 为溶剂， 反应 8.0h， 以83%的产率得到isopropyl 2-hydroxy-4,5-dioxo-1-phenyl-3-[(Z)-phenyl(phenylamino)methylidene]pyrrolidine-2-carboxylate
  参考文献：
  名称：

  Recyclization of isopropyl 1-aryl-4,5-dioxo-2-phenyl-4,5-dihydro-1H-pyrrol-3-yl(oxo)acetates in reactions with anilines

  摘要：

  DOI：

  10.1134/s1070428008120233

文献信息

• Five-membered 2,3-dioxoheterocycles: LXVII. Pyrroledione-pyrroledion recyclization of isopropyl 2-(1-aryl-4,5-dioxo-2-phenyl-4,5-dihydro-1H-pyrrol-3-yl)-2-oxoacetates under the action of arylamines. Crystal and molecular structure of (z)-isopropyl 2-hydroxy-4,5-dioxo-1-phenyl-3-[phenyl(phenylamino)-methylene]pyrrolidine-2-carboxylate
  作者：P. S. Silaichev、M. V. Dmitriev、Z. G. Aliev、A. N. Maslivets

  DOI：10.1134/s1070428010020193

  日期：2010.2

  Reactions of isopropyl 2-(1-aryl-4,5-dioxo-2-phenyl-4,5-dihydro-1H-pyrrol-3-yl)-2-oxoacetates with aromatic amines involve a pyrroledione-pyrroledione recyclization to form isopropyl 1-aryl-2-hydroxy-4,5-dioxo-3-[phenyl(arylamino)methylene]pyrrolidine-2-carboxylates. The crystal and molecular structure of (Z)-isopropyl 2-hydroxy-4,5-dioxo-1-phenyl-3-[phenyl(phenylamino)methylene]pyrrolidine-2-carboxylate was proved by XRD analysis.