hexahydro-pyrrolo[1,2-a]pyrimidine-2,6-dione | 63838-41-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并嘧啶类
• 英文名称: hexahydro-pyrrolo[1,2-a]pyrimidine-2,6-dione
• 英文别名: Hexahydropyrrolo[1,2-a]pyrimidine-2,6-dione；1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrimidine-2,6-dione
• CAS: 63838-41-5
• 化学式: C₇H₁₀N₂O₂
• 分子量: 154.169
• InChiKey: IDRGGLNVFSITJD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  49.4
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  3-(2-Ethoxy-5-oxopyrrolidin-1-yl)propanenitrile 、 甲酸 以50%的产率得到
  参考文献：
  名称：

  BOER-TERPSTRA T.; DIJKINK J.; SCHOEMAKER H. E.; SPECKAMP W. N., TETRAHEDRON LETT , 1977, NO 11, 939-942

  摘要：

  DOI：

文献信息

• Methodology for preparing combinatorial libraries based upon a bicyclic scaffold
  申请人：Hangauer G. David

  公开号：US20050176683A1

  公开（公告）日：2005-08-11

  The present invention relates to tetrahydro-pyrrolo[1,2-a]imidazole-2,5-dione derivative compounds, hexahydro-pyrrolo[1,2-a]pyrimidine-2,6-dione derivative compounds, and combinatorial libraries comprising such compounds. The present invention also relates to methods of preparing such compounds. The methods first involve providing a functionalized resin solid support. Next, the functionalized resin solid support is reacted with amino acids under conditions effective to produce a resin bound dipeptide or tripeptide alcohol intermediate compound. Then, the resin bound dipeptide or tripeptide alcohol intermediate compound is oxidized under conditions effective to convert the resin bound dipeptide or tripeptide alcohol intermediate compound to a resin bound dipeptide or tripeptide aldehyde intermediate compound. Finally, the resin bound dipeptide or tripeptide aldehyde intermediate compound is cyclized under conditions effective to produce the tetrahydro-pyrrolo[1,2-a]imidazole-2,5-dione derivative or hexahydro-pyrrolo[1,2-a]pyrimidine-2,6-dione derivative compound. The methods can be performed in solid phase, solid/solution phase, or solution phase.

  本发明涉及四氢-吡咯并[1,2-a]咪唑-2,5-二酮衍生物化合物、六氢-吡咯并[1,2-a]嘧啶-2,6-二酮衍生物化合物以及包含此类化合物的组合库。本发明还涉及制备此类化合物的方法。这些方法首先涉及提供功能化树脂固体支持物。接着，在有效的条件下，功能化树脂固体载体与氨基酸反应，生成树脂结合二肽或三肽醇中间体化合物。然后，在有效条件下对树脂结合二肽或三肽醇中间化合物进行氧化，将树脂结合二肽或三肽醇中间化合物转化为树脂结合二肽或三肽醛中间化合物。最后，树脂结合二肽或三肽醛中间体化合物在有效条件下环化，生成四氢吡咯并[1,2-a]咪唑-2,5-二酮衍生物或六氢吡咯并[1,2-a]嘧啶-2,6-二酮衍生物化合物。这些方法可以在固相、固/溶相或溶液相中进行。
• [EN] METHODOLOGY FOR PREPARING COMBINATORIAL LIBRARIES BASED UPON A BICYCLIC SCAFFOLD<br/>[FR] METHODOLOGIE POUR PREPARER DES LIBRAIRIES COMBINATOIRES BASEES SUR UNE STRUCTURE BICYCLIQUE
  申请人：UNIV NEW YORK STATE RES FOUND

  公开号：WO2005056523A2

  公开（公告）日：2005-06-23

  The present invention relates to tetrahydro-pyrrolo[1,2-a]imidazole-2,5-dione derivative compounds, hexahydropyrrolo[1,2-a]pyrimidine-2,6-dione derivative compounds, and combinatorial libraries comprising such compounds. The present invention also relates to methods of preparing such compounds. The present invention also relates to methods of preparing such compounds. The methods first involve providing a functionalized resin solid support. Next, the functionalized resin solid support is reacted with amino acids under conditions effective to produce a resin bound dipeptide or tripeptide alcohol intermediate compound. Then, the resin bound dipeptide or tripeptide alcohol intermediate compound is oxidized under conditions effective to convert the resin bound dipeptide or tripeptide alcohol intermediate compound to a resin bound dipeptide or tripeptide aldehyde intermediate compound, Finally, the resin bound dipeptide or tripeptide aldehyde intermediate compound is cyclized under conditions effective to produce the tetrahydro-pyrrolo[1,2-a]imidazole-2,5-dione derivative or hexahydro-pyrrolo[1,2-a]pyrimidine-2,6-dione derivative compound. The methods can be performed in solid phase solid/solution phase, or solution phase.
• BOER-TERPSTRA T.; DIJKINK J.; SCHOEMAKER H. E.; SPECKAMP W. N., TETRAHEDRON LETT <TELE-AY>, 1977, NO 11, 939-942
  作者：BOER-TERPSTRA T.、 DIJKINK J.、 SCHOEMAKER H. E.、 SPECKAMP W. N.

  DOI：——

  日期：——