40856-44-8

Basic information

• Product Name: (S)-3-Amino-3-phenylpropanoic acid
• Synonyms: H-BETA-PHE-OH;RARECHEM LK HC T302;(S)-3-AMINO-3-PHENYLPROPANOIC ACID;(S)-3-AMINO-3-PHENYLPROPIONIC ACID;(S)-B-PHENYLALANINE;(S)-BETA-PHENYLALANINE;(S)-3-Amino-3-Phenylpropinic;(S)-3-PHENYL-BETA-ALANINE
• CAS NO: 40856-44-8
• Molecular Formula: C₉H₁₁NO₂
• Molecular Weight: 165.19
• EINECS: 1312995-182-4
• Product Categories: 3-Amino-3-phenylpropanoic Acid Analogs;Alcohol Aldehyde & acid series;API intermediates;Unusual Amino Acids - Phe;Dapoxetine intermediate
• Mol File: 40856-44-8.mol
• Article Data: 69

Chemical Properties

• Melting Point: 251-253 °C(Solv: water (7732-18-5); acetone (67-64-1))
• Boiling Point: 307.5 °C at 760 mmHg
• Flash Point: 139.8 °C
• Appearance: /
• Density: 1.198 g/cm³
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Solubility: Aqueous Acid (Sparingly)
• PKA: 3.45±0.12(Predicted)
• CAS DataBase Reference: (S)-3-Amino-3-phenylpropanoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: (S)-3-Amino-3-phenylpropanoic acid(40856-44-8)
• EPA Substance Registry System: (S)-3-Amino-3-phenylpropanoic acid(40856-44-8)

Safety Data

• Hazardous Substances Data: 40856-44-8(Hazardous Substances Data)

Usage

Description

(S)-3-Amino-3-phenylpropanoic acid, also known as (S)-β-Phenylalanine, is a naturally occurring non-proteinogenic amino acid. It is a white crystalline powder that serves as a key building block in the synthesis of various pharmaceuticals due to its unique structure and properties.

Uses

Used in Pharmaceutical Industry:
(S)-3-Amino-3-phenylpropanoic acid is used as an intermediate for the synthesis of pharmaceuticals, specifically for the development of new drugs and therapeutic agents. Its unique structure allows it to be a versatile component in the creation of various medicinal compounds.
Used in Drug Synthesis:
(S)-3-Amino-3-phenylpropanoic acid is used as a key building block in the synthesis of pharmaceuticals for its ability to be incorporated into the molecular structure of various drugs. This enhances the development of novel therapeutic agents with improved efficacy and reduced side effects.
Used in Research and Development:
(S)-3-Amino-3-phenylpropanoic acid is utilized in research and development for the study of its chemical properties and potential applications in the field of medicine. Its unique structure makes it an interesting subject for scientific investigation and the development of new pharmaceutical compounds.

Upstream product

• 5661-55-2 4-phenylazetidin-2-one 
• 3646-50-2 3-Amino-3-phenylpropionic acid 
• 14898-52-3 methyl 3-amino-3-phenylpropanoate 
• 37088-67-8 methyl (3R)-3-amino-3-phenylpropanoate 
• 1426822-57-2 C₁₃H₁₄F₃NO₃ 
• 67654-57-3 methyl (R)-3-acetamido-3-phenylpropanoate 
• 622830-41-5 (+/-)-β-phenylalanine propyl ester 
• 622830-37-9 butyl 3-amino-3-phenylpropanoate 
• 100-52-7 benzaldehyde 
• 37088-66-7 (3S)-methyl 3-amino-3-phenylpropanoate 
• 112545-23-0 N-(R)-α-Methylbenzyl-(S)-3-phenylisoxazolidin-5-one 
• 65451-19-6 N-(phenylacetyl)-3-amino-3-phenylpropanoic acid 
• 850011-53-9 3-formylamino-3-phenyl-propionic acid ethyl ester 
• 14990-09-1 tert-butyl cinnamate 

Downstream Products

• 36567-72-3 (S)-3-hydroxy-3-phenylpropanoic acid 
• 161024-80-2 (R)-3-((tert-butoxycarbonyl)amino)-3-phenylpropanoic acid 
• 117020-31-2 (R)-N-acetyl-3-amino-3-phenylpropionic acid 
• 220498-02-2 (R)-3-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-phenylpropanoic acid 
• 83649-48-3 (R)-3-amino-3-phenylpropionic acid hydrochloride 
• 37088-67-8 methyl (3R)-3-amino-3-phenylpropanoate 
• 170564-98-4 (R)-3-amino-3-phenyl-1-propanol 
• 1430098-18-2 C₄₉H₅₈N₄O₉Si 
• 1430098-19-3 C₃₇H₄₇N₅O₁₀ 
• 1430098-22-8 C₂₅H₃₃N₅O₈ 
• 1334681-68-3 tartaricin A 
• 1430098-20-6 C₃₇H₄₇N₅O₁₁ 
• 1430098-23-9 C₂₅H₃₃N₅O₉ 
• 1430098-21-7 C₄₉H₇₅N₅O₁₁Si₂ 

Relevant articles and documents

Preparation methods of beta-azido acid and beta-amino acid compounds and application thereof

The invention discloses a preparation method of beta-azido acid, which comprises the following step of: carrying out a reaction on an ethylene compound, CZ1Z2Z3Z4 and trimethylsilyl azide as initial raw materials to obtain the beta-azido acid. The ethylene compound has a structural general formula as shown in a formula I, and the beta-azido acid has a structural general formula as shown in a formula II, wherein R is selected from one of alkyl, substituted alkyl, heteroaryl and substituted heteroaryl; and Z1, Z2, Z3 and Z4 are respectively and independently at least one selected from fluorine, chlorine, bromine and iodine. The invention further provides beta-amino acid and application of the preparation method. The preparation methods of the beta-azido acid and the beta-amino acid, provided by the invention, have the advantages of cheap raw materials and catalysts, mild reaction conditions, simplicity in operation, high reaction efficiency and the like.

Β-phenylalanine ester synthesis from stable β-keto ester substrate using engineered ω-transaminases

The successful synthesis of chiral amines from ketones using ω-transaminases has been shown in many cases in the last two decades. In contrast, the amination of β-keto acids is a special and relatively new challenge, as they decompose easily in aqueous solution. To avoid this, transamination of the more stable β-keto esters would be an interesting alternative. For this reason, ω-transaminases were tested in this study, which enabled the transamination of the β-keto ester substrate ethyl benzoylacetate. Therefore, a ω-transaminase library was screened using a coloring o-xylylenediamine assay. The ω-transaminase mutants 3FCR_4M and ATA117 11Rd show great potential for further engineering experiments aiming at the synthesis of chiral (S)- and (R)-β-phenylalanine esters. This alternative approach resulted in the conversion of 32% and 13% for the (S)- and (R)-enantiomer, respectively. Furthermore, the (S)-β-phenylalanine ethyl ester was isolated by performing a semi-preparative synthesis.

Synthetic method for novel chiral ligand, metal chelate, multiple unnatural amino acids, maraviroc and key intermediate thereof

The invention discloses a synthetic method for a novel chiral ligand, a metal chelate, multiple unnatural amino acids, maraviroc and a key intermediate thereof. According to the synthetic method, (R)-2-methylproline is selected as a starting material, and asymmetrical resolution is induced by utilizing a nickel chelate, so that (S)-beta3-amino acid is obtained, and (S)-3-amino-3-phenylpropionic acid is taken as the key intermediate for synthesizing maraviroc, so that yield is high, and ee value reaches more than or equal to 98.2%. The method disclosed by the invention has the advantages that source of raw materials is wide, conditions of a synthetic process are mild, control is easy, and optical purity of products is high.