1,3,3a,8a-tetrahydro-(3aS,8aR)-dihydroxy-1-ethyl, 3-((S)-1-phenylethyl)indeno-[1,2-d]-imidazole-2,8-dione | 1370336-80-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 英文名称: 1,3,3a,8a-tetrahydro-(3aS,8aR)-dihydroxy-1-ethyl, 3-((S)-1-phenylethyl)indeno-[1,2-d]-imidazole-2,8-dione
• CAS: 1370336-80-3
• 化学式: C₂₀H₂₀N₂O₄
• 分子量: 352.39
• InChiKey: KJKPLPQSHFBYRK-CJMONDIMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.24
• 重原子数：
  26.0
• 可旋转键数：
  3.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  81.08
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  (S)-(-)- α-甲基苄胺 以 四氢呋喃 、 苯 为溶剂， 反应 2.0h， 生成 1,3,3a,8a-tetrahydro-(3aS,8aR)-dihydroxy-1-ethyl, 3-((S)-1-phenylethyl)indeno-[1,2-d]-imidazole-2,8-dione 、 1,3,3a,8a-tetrahydro-(3aR,8aS)-dihydroxy-1-ethyl, 3-((S)-1-phenylethyl)indeno-[1,2-d]-imidazole-2,8-dione
  参考文献：
  名称：

  Synthesis, resolution and anticonvulsant activity of chiral N-1′-ethyl,N-3′-(1-phenylethyl)-(R,S)-2′H,3H,5′H-spiro-(2-benzofuran-1,4′-imidazolidine)-2′,3,5′-trione diastereomers

  摘要：

  Four new N-1', N-3'-disubstituted-2'H, 3H, 5'H-spiro-(2-benzofuran-1,4'-imidazolidine)-2',3,5'-triones bearing a chiral N-3' substituent were synthesized, resolved and their anticonvulsant activity was obtained and determined that the activity was not stereoselective. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.02.005