1-(dimethylamino)cyclopent-3-ene-1,3-dicarboxylic acid hydrochloride | 1426299-42-4

• 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: 1-(dimethylamino)cyclopent-3-ene-1,3-dicarboxylic acid hydrochloride
• 英文别名: 1-(Dimethylamino)cyclopent-3-ene-1,3-dicarboxylic acid;hydrochloride；1-(dimethylamino)cyclopent-3-ene-1,3-dicarboxylic acid;hydrochloride
• CAS: 1426299-42-4
• 化学式: C₉H₁₃NO₄*ClH
• 分子量: 235.667
• InChiKey: URKVIHWVUXCVPA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  77.8
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3-ethyl 1-methyl 1-(dimethylamino)cyclopent-3-ene-1,3-dicarboxylate 在 盐酸 、 水 作用下， 反应 16.0h， 以96%的产率得到1-(dimethylamino)cyclopent-3-ene-1,3-dicarboxylic acid hydrochloride
  参考文献：
  名称：

  Synthesis and inhibitory activities at mGluRs of 3-alkylated and N-alkylated cyclopentyl-glutamate analogues

  摘要：

  The conformationally restricted glutamate analogues, 3-alkyl-1-amino-2-cyclopentene-1,3-dicarboxylates and N-alkylated analogues have been prepared in a regioselective and diastereoselective manner. From the biological studies of the 3-alkylated analogues, compound 13b was found to be the most potent antagonist (IC50 7.7 mu M) at mGluR2. Amongst the N-alkylated analogues, compound 20 was found to be a partial agonist (EC50 9.5 mu M) and as well as an antagonist (IC50 47 mu M) at mGluR2. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2013.01.054