4-(2-Hydroxy-3,3-dimethyl-butyryl)-3-methyl-1H-pyrrole-2-carboxylic acid propyl ester

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-(2-Hydroxy-3,3-dimethyl-butyryl)-3-methyl-1H-pyrrole-2-carboxylic acid propyl ester
• 英文别名: propyl 4-(2-hydroxy-3,3-dimethylbutanoyl)-3-methyl-1H-pyrrole-2-carboxylate
• 化学式: C₁₅H₂₃NO₄
• 分子量: 281.352
• InChiKey: IRLPCRICIJYLGL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  20
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  79.4
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-(2-Hydroxy-3,3-dimethyl-butyryl)-3-methyl-1H-pyrrole-2-carboxylic acid propyl ester 在 N-氯代丁二酰亚胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以30%的产率得到5-Chloro-4-(2-hydroxy-3,3-dimethyl-butyryl)-3-methyl-1H-pyrrole-2-carboxylic acid propyl ester
  参考文献：
  名称：

  2,4-Dicarboxy-pyrroles as selective non-Competitive mGluR1 antagonists: further characterization of 3,5-Dimethyl pyrrole-2,4-dicarboxylic acid 2-propyl ester 4-(1,2,2-Trimethyl-propyl) ester and structure–Activity relationships

  摘要：

  Following the disclosure of 3,5-dimethyl pyrrole-2,4-dicarboxylic acid 2-propyl ester 4-(1,2,2-trimethyl-propyl) ester [3,5-dimethyl PPP] as a potent and selective mGluR1 non-competitive antagonist, we report here further in vivo characterization of this important toot and disclose the investigation of the C-5 position, which led to very potent compounds. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00396-2

文献信息

• 2,4-Dicarboxy-pyrroles as selective non-Competitive mGluR1 antagonists: further characterization of 3,5-Dimethyl pyrrole-2,4-dicarboxylic acid 2-propyl ester 4-(1,2,2-Trimethyl-propyl) ester and structure–Activity relationships
  作者：Fabrizio Micheli、Romano Di Fabio、Fabio Bordi、Palmina Cavallini、Paolo Cavanni、Daniele Donati、Stefania Faedo、Micaela Maffeis、Fabio Maria Sabbatini、Giorgio Tarzia、Maria Elvira Tranquillini

  DOI：10.1016/s0960-894x(03)00396-2

  日期：2003.7

  Following the disclosure of 3,5-dimethyl pyrrole-2,4-dicarboxylic acid 2-propyl ester 4-(1,2,2-trimethyl-propyl) ester [3,5-dimethyl PPP] as a potent and selective mGluR1 non-competitive antagonist, we report here further in vivo characterization of this important toot and disclose the investigation of the C-5 position, which led to very potent compounds. (C) 2003 Elsevier Science Ltd. All rights reserved.