2-Phenyl-3-aminobuttersaeure | 91108-73-5

• 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: 2-Phenyl-3-aminobuttersaeure
• 英文别名: 3-amino-2-phenyl-butyric acid；3-Amino-2-phenyl-buttersaeure；3-Amino-2-phenylbutanoic acid
• CAS: 91108-73-5
• 化学式: C₁₀H₁₃NO₂
• 分子量: 179.219
• InChiKey: HYFRYTQBFPABDO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.4
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  63.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  甲基亚乙基苯乙酸羧酸盐 在 甲醇 、 羟胺 作用下， 生成 2-Phenyl-3-aminobuttersaeure
  参考文献：
  名称：

  McRae; McGinnis, Canadian Journal of Research, Section B: Chemical Sciences, 1940, vol. 18, p. 90,93

  摘要：

  DOI：

文献信息

• BETA-AMINO ACIDS AND METHODS AND INTERMEDIATES FOR MAKING SAME
  申请人：Sibi Mukund P.

  公开号：US20110218342A1

  公开（公告）日：2011-09-08

  Disclosed are β-amino acids that are unsubstituted in the β position; that are substituted in the β position with an aryl group; that are substituted in the α position with an aryl group; that bear two substituents in the α position; and/or that are substituted in the α and β positions with groups which, together with the carbon atoms at the α and β positions, form a ring. Also disclosed are methods for making the above-mentioned β-amino acids and other β-amino acids which involve providing an α,β-unsaturated imide; converting the α,β-unsaturated imide to a 2-substituted-isoxazolidin-5-one; and converting the 2-substituted-isoxazolidin-5-one to a β-amino acid.

  披露了未在β位取代的β-氨基酸；在β位用芳基取代的β-氨基酸；在α位用芳基取代的β-氨基酸；在α位带有两个取代基的β-氨基酸；和/或在α和β位用与α和β位的碳原子一起形成环的基团取代的β-氨基酸。还披露了制备上述β-氨基酸和其他β-氨基酸的方法，包括提供α，β-不饱和亚胺；将α，β-不饱和亚胺转化为2-取代异噁唑啉-5-酮；将2-取代异噁唑啉-5-酮转化为β-氨基酸。
• PROCESS FOR PREPARING R-BETA-AMINO PHENYLBUTYRIC ACID DERIVATIVES
  申请人：Sun Piaoyang

  公开号：US20110130587A1

  公开（公告）日：2011-06-02

  Disclosed is a process for preparing single enantiomers of beta-amino phenylbutyric acid derivatives and pharmaceutically acceptable salts thereof, which affords the desired compounds having special optical configuration. The process comprises a step of chemical synthesis and a step of resolving the optical isomers of beta-amino phenylbutyric acid derivatives with a resolving agent. The resolving step comprises reacting the optical isomers with resolving agents, such as di-para-toluoyl-L-tartaric acid and di-para-toluoyl-D-tartaric acid. The obtained R-beta-amino phenylbutyric acid derivatives (I) have high optical purity, and the total yield of the accumulative resolution of the laevo and the dextro isomer is up to above 70%.

  本文揭示了一种制备β-氨基苯丁酸衍生物的单对映体及其药用可接受盐的过程，该过程可获得具有特殊光学构型的所需化合物。该过程包括化学合成步骤和使用分离剂分离β-氨基苯丁酸衍生物的光学异构体步骤。分离步骤包括将光学异构体与分离剂（如对二甲苯基-L-酒石酸和对二甲苯基-D-酒石酸）反应。所获得的R-β-氨基苯丁酸衍生物（I）具有较高的光学纯度，左旋异构体和右旋异构体的累积分离总产率可达70%以上。
• A PROCESS FOR PREPARING R-BETA-AMINO PHENYLBUTYRIC ACID DERIVATIVES
  申请人：Jiangsu Hengrui Medicine Co., Ltd.

  公开号：EP2308829B1

  公开（公告）日：2017-06-14
• US8034974B2
  申请人：——

  公开号：US8034974B2

  公开（公告）日：2011-10-11
• US8580997B2
  申请人：——

  公开号：US8580997B2

  公开（公告）日：2013-11-12