3-amino-3-(4-nitrophenyl)-2-carboxypropanoic acid | 460039-81-0

• 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: 3-amino-3-(4-nitrophenyl)-2-carboxypropanoic acid
• 英文别名: 2-[Amino-(4-nitrophenyl)methyl]propanedioic acid
• CAS: 460039-81-0
• 化学式: C₁₀H₁₀N₂O₆
• 分子量: 254.199
• InChiKey: RRJXGXMTMJPEBG-UHFFFAOYSA-N

物化性质

• 沸点：
  496.6±45.0 °C(Predicted)
• 密度：
  1.577±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -2.3
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  146
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  3-amino-3-(4-nitrophenyl)-2-carboxypropanoic acid 在 乙酸铵 、 丙二酸 作用下， 以 乙醇 为溶剂， 反应 96.0h， 生成 对硝基肉桂酸
  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
• 作为产物：
  描述：

  对硝基苯甲醛 在 乙酸铵 、 丙二酸 作用下， 以 乙醇 为溶剂， 反应 192.0h， 生成 3-amino-3-(4-nitrophenyl)-2-carboxypropanoic acid
  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
• [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.
• A one-pot synthesis of 3-amino-3-arylpropionic acids
  作者：C.Y.K. Tan、D.F. Weaver

  DOI：10.1016/s0040-4020(02)00824-4

  日期：2002.9

  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.