270596-51-5

Basic information

• Product Name: BOC-(S)-3-AMINO-4-(3-FLUOROPHENYL)BUTYRIC ACID
• Synonyms: N-BETA-T-BUTOXYCARBONYL-L-HOMO-(3-FLUOROPHENYL)ALANINE;N-T-BUTOXYCARBONYL-(S)-3-AMINO-4-(3-FLUOROPHENYL)BUTANOIC ACID;RARECHEM AK PT B067;BOC-3-FLUORO-L-BETA-HOMOPHENYLALANINE;BOC-BETA-HOPHE(3-F)-OH;BOC-PHE(3-F)-(C*CH2)OH;BOC-(S)-3-AMINO-4-(3-FLUOROPHENYL)BUTANOIC ACID;BOC-(S)-3-AMINO-4-(3-FLUOROPHENYL)BUTYRIC ACID
• CAS NO: 270596-51-5
• Molecular Formula: C15H20FNO4
• Molecular Weight: 297.32
• Product Categories: 3-Amino-4-phenylbutyric Acid Analogs;3-Amino-4-phenylbutanoic Acid Analogs;B-Amino
• Mol File: 270596-51-5.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 443.3 °C at 760 mmHg
• Flash Point: 221.9 °C
• Appearance: /
• Density: 1.192 g/cm³
• Vapor Pressure: 1.22E-08mmHg at 25°C
• Refractive Index: 1.514
• Storage Temp.: 2-8°C
• CAS DataBase Reference: BOC-(S)-3-AMINO-4-(3-FLUOROPHENYL)BUTYRIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: BOC-(S)-3-AMINO-4-(3-FLUOROPHENYL)BUTYRIC ACID(270596-51-5)
• EPA Substance Registry System: BOC-(S)-3-AMINO-4-(3-FLUOROPHENYL)BUTYRIC ACID(270596-51-5)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 270596-51-5(Hazardous Substances Data)

Usage

General Description

BOC-(S)-3-amino-4-(3-fluorophenyl)butyric acid is a chemical compound that belongs to the class of amino acids. It contains a BOC (tert-butoxycarbonyl) protecting group, which is commonly used in peptide synthesis to protect the amino group from unwanted reactions. The compound has a substituted butyric acid backbone with an amino group and a fluorophenyl group attached to it. It is a chiral compound with an S configuration at the amino center. This chemical may have potential applications in pharmaceutical and medicinal chemistry, as well as in peptide synthesis and related research areas.

InChI:InChI=1/C15H20FNO4/c1-15(2,3)21-14(20)17-12(9-13(18)19)8-10-5-4-6-11(16)7-10/h4-7,12H,8-9H2,1-3H3,(H,17,20)(H,18,19)/t12-/m0/s1

Upstream product

• 114873-11-9 boc-L-3-(3-fluorophenyl)alanine 

Relevant articles and documents

Synthesis method of chiral N-Boc-3-amino-4-aryl-butyric acid

The invention relates to a synthesis method of chiral N-Boc-3-amino-4-aryl-butyric acid. The method is as below: 1, conducting a cross metathesis reaction, an asymmetric conjugate addition reaction and an oxidation reaction on starting materials including an allyl aromatic compound and crotonaldehyde by a continuous reaction one-pot method to synthesize an N-Boc-3-aryl methyl-5-oxo isoxazole intermediate; or conducting an asymmetric conjugate addition reaction and an oxidation reaction on a starting material (E)-4-aryl-2-crotonaldehyde by a continuous reaction one-pot method to synthesize an N-Boc-3-aryl methyl-5-oxo isoxazole intermediate; and 2, subjecting (3R)-N-Boc-3-aryl methyl-5-oxo isoxazole intermediate by high-pressure hydrogenation to directly prepare the chiral N-Boc-3-amino-4-aryl-butyric acid. The synthesis method provided by the invention has the advantages of simple operation, mild reaction conditions, target product yield reaching 60-69%, and ee value of the target product reaching as high as 96%. The synthetic route has industrialization prospect.