718596-77-1

Basic information

• Product Name: (S)-3-AMINO-3-(4-CYANO-PHENYL)-PROPIONIC ACID
• Synonyms: H-BETA-PHE(4-CN)-OH;H-D-PHG(4-CN)-(C*CH2)OH;(S)-3-AMINO-(4-CYANO-PHENYL)-PROPIONIC ACID;(S)-3-AMINO-3-(4-CYANO-PHENYL)-PROPIONIC ACID;RARECHEM DK HD C008;H-b-Phe(4-CN)-OH;H-L-b-phe(4-CN)-OH;(S)-H-β-Phe(4-CN)-OH
• CAS NO: 718596-77-1
• Molecular Formula: C₁₀H₁₀N₂O₂
• Molecular Weight: 190.2
• Mol File: 718596-77-1.mol
• Article Data: 2

Chemical Properties

• Melting Point: 229-231 °C(Solv: water (7732-18-5); acetone (67-64-1))
• Boiling Point: 395.4±37.0 °C(Predicted)
• Appearance: /
• Density: 1.28±0.1 g/cm3(Predicted)
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• PKA: 3.52±0.10(Predicted)
• Sensitive: Air Sensitive
• CAS DataBase Reference: (S)-3-AMINO-3-(4-CYANO-PHENYL)-PROPIONIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: (S)-3-AMINO-3-(4-CYANO-PHENYL)-PROPIONIC ACID(718596-77-1)
• EPA Substance Registry System: (S)-3-AMINO-3-(4-CYANO-PHENYL)-PROPIONIC ACID(718596-77-1)

Safety Data

• Hazardous Substances Data: 718596-77-1(Hazardous Substances Data)

Usage

General Description

"(S)-3-Amino-3-(4-cyano-phenyl)-propionic acid is a chemical compound with a specific arrangement of amino and carboxyl functional groups. It has the cyano group attached to its phenyl ring. The presence of a chiral carbon gives it the characteristic (S) stereochemistry, referring to the specific spatial arrangement of its constituent atoms. The properties and reactions of this compound would largely depend on the functional groups present in the molecule. Currently, this compound does not appear to have major industrial or medicinal use, and mainly seems to be of interest in academic research or synthetic chemistry. As it contains an amino acid backbone, it might be involved in peptide synthesis or other related chemical fields. However, detailed information about the biological activity, toxicity or potential applications of this compound are not readily available.

Upstream product

• 738606-23-0 ethyl (S)-3-butanoylamino-3-(4-cyanophenyl)propanoate 
• 80971-95-5 (+/-)-3-amino-3-(4-cyanophenyl)propanoic acid 
• 288848-50-0 ethyl (+/-)-3-amino-3-(4-cyanophenyl)propanoate 

Downstream Products

• 131724-45-3 (S)-2-((tert-butoxycarbonyl)amino)-3-(4-cyanophenyl)propanoic acid 

Relevant articles and documents

Development of a commercial process for (S)-β-phenylalanine (1)

The development of a commercial manufacturing route for (S)-β-phenylalanine 8, a key pharmaceutical building block, is described. The different approaches which were investigated, based on catalytic asymmetric hydrogenation of enamide intermediates and on biocatalysis using acylase and lipase hydrolyses, are compared. The lipase resolution route was chosen for scale-up, and the final two-step process, based on readily available raw materials, is shown to be robust at full manufacturing scale