3-氨基-3-[3-(4-甲基苯氧基)苯基]丙酸 | 213192-66-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3-氨基-3-[3-(4-甲基苯氧基)苯基]丙酸
• 英文名称: 3-amino-3-[3-(4-methylphenoxy)phenyl]propionic acid
• 英文别名: 3-amino-3-[3-(4-methylphenoxy)phenyl]propanoic Acid
• CAS: 213192-66-6
• 化学式: C₁₆H₁₇NO₃
• 分子量: 271.316
• InChiKey: INAQBBFMGZBFDK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  72.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  丙二酸 、 3-(4-甲基苯氧基)苯甲醛 在 乙酸铵 作用下， 以 乙醇 为溶剂， 反应 6.0h， 以56%的产率得到3-氨基-3-[3-(4-甲基苯氧基)苯基]丙酸
  参考文献：
  名称：

  A one-pot synthesis of 3-amino-3-arylpropionic acids

  摘要：

  3-Aminopropionic acids (beta-amino acids) are biologically active compounds of interest in medicinal and pharmaceutical chemistry. Twenty-one 3-amino-3-arylpropionic acids were synthesized via a facile one-pot synthesis. In addition, a series of mechanistic studies have been performed to optimize the production of these beta-amino acids. The reaction mechanism of this one-pot synthesis of beta-amino acids, as well as the electronic effect of para-substitution and the influence of solvent polarity on the proposed reaction mechanism are discussed. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(02)00824-4

文献信息

• Anti-epileptogenic agents
  申请人：Queen's University at Kingston and Neurochem, Inc.

  公开号：US20030194375A1

  公开（公告）日：2003-10-16

  Methods and compounds useful for the inhibition of convulsive disorders, including epilepsy, are disclosed. The methods and compounds of the invention inhibit or prevent ictogenesis and/or epileptogenesis. Methods for preparing the compounds of the invention are also described.

  本发明揭示了用于抑制惊厥性疾病，包括癫痫的方法和化合物。本发明的方法和化合物抑制或预防了发作和/或癫痫发作。还描述了制备本发明化合物的方法。
• EP1386166A2
  申请人：——

  公开号：EP1386166A2

  公开（公告）日：2004-02-04
• US7268164B2
  申请人：——

  公开号：US7268164B2

  公开（公告）日：2007-09-11
• US7501429B2
  申请人：——

  公开号：US7501429B2

  公开（公告）日：2009-03-10
• [EN] ANTI-EPILEPTOGENIC AGENTS<br/>[FR] AGENTS ANTIEPILEPTOGENES
  申请人：UNIV KINGSTON

  公开号：WO2002073208A2

  公开（公告）日：2002-09-19

  Methods and compounds useful for the inhibition of convulsive disorders, including epilepsy, are disclosed. The methods and compounds of the invention inhibit or prevent ictogenesis and/or epileptogenesis. Methods for preparing the compounds of the invention are also described.