Benzyl 2-ethylpyrrolidine-2-carboxylate | 1228439-98-2

• 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: Benzyl 2-ethylpyrrolidine-2-carboxylate
• 英文别名: benzyl 2-ethylpyrrolidine-2-carboxylate
• CAS: 1228439-98-2
• 化学式: C₁₄H₁₉NO₂
• 分子量: 233.31
• InChiKey: QTSIOUQBYVOPLG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  Benzyl 2-ethylpyrrolidine-2-carboxylate 、 乙酰氯 在 sodium carbonate 作用下， 以 二氯甲烷 、 水 为溶剂， 生成 Benzyl 1-acetyl-2-ethylpyrrolidine-2-carboxylate
  参考文献：
  名称：

  Benzyl prolinate derivatives as novel selective KCC2 blockers

  摘要：

  The discovery and optimization of a novel class of selective submicromolar KCC2 blockers is described. Details of synthesis and SAR are given together with ADME properties of selected compounds. A methylsulfone residue on the R(1) phenyl group improved the overall general pro. le of these prolinate derivatives. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.02.092
• 作为产物：
  描述：

  在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 以100%的产率得到Benzyl 2-ethylpyrrolidine-2-carboxylate
  参考文献：
  名称：

  Benzyl prolinate derivatives as novel selective KCC2 blockers

  摘要：

  The discovery and optimization of a novel class of selective submicromolar KCC2 blockers is described. Details of synthesis and SAR are given together with ADME properties of selected compounds. A methylsulfone residue on the R(1) phenyl group improved the overall general pro. le of these prolinate derivatives. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.02.092

文献信息

• Benzyl prolinate derivatives as novel selective KCC2 blockers
  作者：Cécile Pégurier、Nathalie Bosman、Philippe Collart、Marie-Laure Delporte、Karine Leclercq、Sébastien Lengelé、Ananda Kumar Kanduluru、Stéphane Meunier、Nathalie Pacico、Lakshmana Rao Vadali、Alain Wagner、Christian Wolff、Laurent Provins

  DOI：10.1016/j.bmcl.2010.02.092

  日期：2010.4

  The discovery and optimization of a novel class of selective submicromolar KCC2 blockers is described. Details of synthesis and SAR are given together with ADME properties of selected compounds. A methylsulfone residue on the R(1) phenyl group improved the overall general pro. le of these prolinate derivatives. (C) 2010 Elsevier Ltd. All rights reserved.