N-Phenyl-β-phenyl-β-alanine | 6049-56-5

• 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: N-Phenyl-β-phenyl-β-alanine
• 英文别名: 3-phenyl-3-N-phenylaminopropionic acid；3-phenyl-3-(phenylamino)propanoic acid；3-Phenyl-3-phenylaminopropionsaeure；3-anilino-3-phenyl-propionic acid；3-phenyl-3-(phenylamino)propionic acid；3-Anilino-3-phenyl-propionsaeure；I(2)-(Phenylamino)benzenepropanoic acid；3-anilino-3-phenylpropanoic acid
• CAS: 6049-56-5
• 化学式: C₁₅H₁₅NO₂
• 分子量: 241.29
• InChiKey: KVTBXTZOZWMLHZ-UHFFFAOYSA-N

物化性质

• 熔点：
  134 °C
• 沸点：
  422.6±33.0 °C(Predicted)
• 密度：
  1.218±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  49.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-Phenyl-β-phenyl-β-alanine 在 乙醚 、 三氯化磷 作用下， 生成 1,4-二苯基-2-氮杂环丁酮
  参考文献：
  名称：

  Ballard et al., Chemistry of Penicillin

  摘要：

  DOI：
• 作为产物：
  描述：

  1,4-二苯基-2-氮杂环丁酮 在 苄基三甲基氢氧化铵 、 溶剂黄146 作用下， 生成 N-Phenyl-β-phenyl-β-alanine
  参考文献：
  名称：

  Zur Reaktion von Benzyltrimethylammoniumhydroxid mit 1,4-Diphenyl-2-azetanon Reaction of Benzyltrimethylammonium Hydroxide with 1,4-Diphenyl-2-azetanone

  摘要：

  DOI：

  10.1002/ardp.19833160714

文献信息

• Piperidine derivatives with PAF antagonist activity
  申请人：J. Uriach & Cia, S.A.

  公开号：US05705504A1

  公开（公告）日：1998-01-06

  Compounds of general formula I and their salts and solvates are PAF antagonists and as such are useful in the treatment of various diseases or disorders mediated by PAF. Pharmaceutical compositions including these compounds and processes for their preparation are also provided.

  通式I及其盐和溶剂合物是PAF拮抗剂，因此在治疗由PAF介导的各种疾病或紊乱方面具有用途。还提供包括这些化合物的药物组合物和其制备方法。
• Natural Phosphate Modified with Lithium Nitrate: A New Efficient Catalyst for the Construction of Carbon–Carbon, Carbon–Sulfur, and Carbon–Nitrogen Bonds
  作者：Mohamed Zahouily、Bahija Mounir、Hind Cherki、Bouchaib Bahlaouan、Ahmed Rayadh、Saïd Sebti

  DOI：10.1080/10426500601160397

  日期：2007.4.19

  of small amounts of lithium nitrate to natural phosphate followed by calcination gives a new catalyst Li/NP (weight ratio LiNO3/NP = 1/15). This material showed catalytic activity in the Michael addition of amines, mercaptans, and active methylene compounds to chalcone derivatives with high yields under mild reaction conditions. Li/NP is used as the catalyst for a facile synthesis of β-amino acids,

  在天然磷酸盐中加入少量硝酸锂，然后煅烧，得到新的催化剂 Li/NP（重量比 LiNO3/NP = 1/15）。这种材料在胺、硫醇和活性亚甲基化合物与查耳酮衍生物的迈克尔加成反应中表现出催化活性，在温和的反应条件下具有高产率。Li/NP 用作催化剂，可在非均相条件下轻松合成 β-氨基酸、β-硫酸和 4 H-色烯。用这种方法没有观察到迈克尔缩合反应中常见的不希望有的副产物，例如 1,2-加成、双加成和聚合化合物。通过使用 Li/NP 进行简单过滤，简化了后处理程序。
• (2-Alkyl-3-pyridyl)methylpiperazine derivatives as PAF antagonists
  申请人：J. URIACH & CIA. S.A.

  公开号：EP0528172A1

  公开（公告）日：1993-02-24

  The present invention relates to new (2-alkyl-3-pyridyl)methylpiperazine derivatives of general formula I: wherein R¹, R² and Z are as defined in Claim 1. The invention also relates to processes for their preparation and to pharmaceutical compositions containing them. These compounds are potent, orally active PAF antagonists and, consequently, they are useful in the treatment of the diseases in which this substance is involved.

  本发明涉及一般式I的新(2-烷基-3-吡啶基)甲基哌嗪衍生物，其中R¹，R²和Z如权利要求1所定义。该发明还涉及它们的制备方法以及含有它们的药物组合物。这些化合物是有效的口服PAF拮抗剂，因此它们在治疗涉及该物质的疾病中很有用。
• A new and mild synthesis of β-amino acids from masked β-enamino acid derivatives
  作者：Santos Fustero、Ma Dolores Díaz、Antonio Navarro、Esther Salavert、Enrique Aguilar

  DOI：10.1016/s0040-4039(98)02469-1

  日期：1999.1

  A new method of synthesis of racemic β-amino acids 6 by reduction of masked N-substituted and N-unsubstituted β-enamino acid derivatives 4via C-protected β-amino acids 5 is described. The process occurs with high yields, total chemoselectivity and moderate diastereoselectivity. Readily available starting materials, inexpensive reagents and mild conditions are used to furnish derivatives 5 and 6.

  描述了一种新的合成外消旋β-氨基酸6的方法，该方法通过经由C-保护的β-氨基酸5还原被掩蔽的N-取代的和N-未取代的β-烯酸衍生物4。该过程以高收率，总化学选择性和中等非对映选择性发生。容易获得的起始原料，廉价的试剂和温和的条件用于提供衍生物5和6。
• PROCESS FOR SYNTHESIZING $g(b)-LACTAM
  申请人：National Institute of Advanced Industrial Science and Technology

  公开号：EP1346981A1

  公开（公告）日：2003-09-24

  It is an object of the present invention to provide a method for synthesizing β-lactams and a method for manufacturing β-lactams in water of high-temperature and under high-pressure, and the present invention relates to a β-lactam synthesis method which is characterized in that β-lactams are synthesized by reacting β-amino acids in water at high-temperature and under high-pressure, this method being further characterized in that β-lactams are synthesized at a high speed by cyclizing β-amino acids in water at high-temperature and under high-pressure in which the temperature range is 200°C or higher and the pressure range is 10 MPa or greater, and the present invention also relates to a method for manufacturing β-lactams which is characterized in that β-lactams are synthesized by reacting β-amino acids in water at high-temperature and under high-pressure, and are then separated and purified using a column separation medium.

  本发明的目的是提供一种在高温高压水中合成β-内酰胺的方法和制造β-内酰胺的方法，本发明涉及一种β-内酰胺合成方法，其特征在于β-内酰胺是通过β-氨基酸在高温高压水中反应合成的、本发明还涉及一种制造β-内酰胺的方法，其特征在于β-内酰胺是通过β-氨基酸在水中在高温高压下发生环化反应而高速合成的，其中温度范围为200℃或更高，压力范围为10兆帕或更大，本发明还涉及一种制造β-内酰胺的方法，其特征在于β-内酰胺是通过β-氨基酸在水中在高温高压下发生反应而合成的，然后使用柱分离介质进行分离和纯化。