4-(3-chlorophenoxy)pyrrolidine-2-carboxylic acid hydrochloride | 686766-30-3

• 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: 4-(3-chlorophenoxy)pyrrolidine-2-carboxylic acid hydrochloride
• 英文别名: (2S,4S)-4-(3-chlorophenoxy)pyrrolidine-2-carboxylic acid;hydrochloride
• CAS: 686766-30-3
• 化学式: C₁₁H₁₂ClNO₃*ClH
• 分子量: 278.135
• InChiKey: UKPGMXGYVXPVBI-IYPAPVHQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.96
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  58.6
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  N-Boc-反式-4-羟基-L-脯氨酸甲酯 在 盐酸 、 偶氮二甲酸二异丙酯 、 水 、 三苯基膦 、 lithium hydroxide 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 水 为溶剂， 生成 4-(3-chlorophenoxy)pyrrolidine-2-carboxylic acid hydrochloride
  参考文献：
  名称：

  Part 2: Design, synthesis and evaluation of hydroxyproline-derived α2δ ligands

  摘要：

  Conformational constraint has been used to design a potent series of alpha(2)delta ligands derived from the readily available starting material (2S,4R)-hydroxy-L-proline. The ligands have improved physicochemistry and potency compared to their linear counterparts (described in our earlier publication) and the lead compound has been progressed to clinical development. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.04.056

文献信息

• EP2058301
  申请人：——

  公开号：——

  公开（公告）日：——
• Part 2: Design, synthesis and evaluation of hydroxyproline-derived α2δ ligands
  作者：David J. Rawson、Delphine Brugier、Anthony Harrison、Jo Hough、Julie Newman、Joe Otterburn、Graham N. Maw、Jenny Price、Lisa R. Thompson、Paul Turnpenny、Andrew N. Warren

  DOI：10.1016/j.bmcl.2011.04.056

  日期：2011.6

  Conformational constraint has been used to design a potent series of alpha(2)delta ligands derived from the readily available starting material (2S,4R)-hydroxy-L-proline. The ligands have improved physicochemistry and potency compared to their linear counterparts (described in our earlier publication) and the lead compound has been progressed to clinical development. (C) 2011 Elsevier Ltd. All rights reserved.