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(2S)-2-acetamido-3-(3-fluorophenyl)propanoic acid

Base Information Edit
  • Chemical Name:(2S)-2-acetamido-3-(3-fluorophenyl)propanoic acid
  • CAS No.:17607-28-2
  • Molecular Formula:C11H12FNO3
  • Molecular Weight:225.22
  • Hs Code.:2924299090
  • European Community (EC) Number:241-579-1
  • Nikkaji Number:J264.772I
  • Mol file:17607-28-2.mol
(2S)-2-acetamido-3-(3-fluorophenyl)propanoic acid

Synonyms:DL-Phenylalanine, N-acetyl-3-fluoro-;(2S)-2-acetamido-3-(3-fluorophenyl)propanoic acid;SCHEMBL21037199;69078-51-9;EINECS 241-579-1;AKOS015907793;NSC 270551;N-Acetyl-3-fluoro-3-phenyl-DL-alanine;(S)-2-Acetamido-3-(3-fluorophenyl)propanoic acid;EN300-28274492;A1-52919;330-45-0

Suppliers and Price of (2S)-2-acetamido-3-(3-fluorophenyl)propanoic acid
Supply Marketing:Edit
Business phase:
The product has achieved commercial mass production*data from LookChem market partment
Manufacturers and distributors:
  • Manufacture/Brand
  • Chemicals and raw materials
  • Packaging
  • price
  • Matrix Scientific
  • N-Acetyl-3-fluorophenylalanine
  • 500mg
  • $ 158.00
  • Crysdot
  • 2-Acetamido-3-(3-fluorophenyl)propanoicacid 95+%
  • 5g
  • $ 499.00
  • Biosynth Carbosynth
  • N-Acetyl-3-Fluoro-Phenylalanine
  • 2 g
  • $ 289.00
  • Biosynth Carbosynth
  • N-Acetyl-3-Fluoro-Phenylalanine
  • 5 g
  • $ 578.00
  • Biosynth Carbosynth
  • N-Acetyl-3-Fluoro-Phenylalanine
  • 500 mg
  • $ 100.00
  • Biosynth Carbosynth
  • N-Acetyl-3-Fluoro-Phenylalanine
  • 250 mg
  • $ 57.50
  • Biosynth Carbosynth
  • N-Acetyl-3-Fluoro-Phenylalanine
  • 1 g
  • $ 170.00
  • American Custom Chemicals Corporation
  • N-ACETYL-3-FLUORO-DL-PHENYLALANINE 95.00%
  • 25G
  • $ 1702.47
  • American Custom Chemicals Corporation
  • N-ACETYL-3-FLUORO-DL-PHENYLALANINE 95.00%
  • 5G
  • $ 905.52
  • American Custom Chemicals Corporation
  • N-ACETYL-3-FLUORO-DL-PHENYLALANINE 95.00%
  • 0.5G
  • $ 248.00
Total 27 raw suppliers
Chemical Property of (2S)-2-acetamido-3-(3-fluorophenyl)propanoic acid Edit
Chemical Property:
  • Vapor Pressure:6.82E-09mmHg at 25°C 
  • Melting Point:154-157 °C(lit.) 
  • Refractive Index:1.532 
  • Boiling Point:450.2 °C at 760 mmHg 
  • PKA:3.50±0.10(Predicted) 
  • Flash Point:226.1 °C 
  • PSA:66.40000 
  • Density:1.273 g/cm3 
  • LogP:1.34840 
  • Storage Temp.:Keep Cold 
  • XLogP3:1.2
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:4
  • Rotatable Bond Count:4
  • Exact Mass:225.08012141
  • Heavy Atom Count:16
  • Complexity:270
Purity/Quality:

97% *data from raw suppliers

N-Acetyl-3-fluorophenylalanine *data from reagent suppliers

Safty Information:
  • Pictogram(s): IrritantXi 
  • Hazard Codes:Xi 
  • Safety Statements: 22-24/25 
MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:CC(=O)NC(CC1=CC(=CC=C1)F)C(=O)O
  • Isomeric SMILES:CC(=O)N[C@@H](CC1=CC(=CC=C1)F)C(=O)O
  • Uses N-Acetyl-3-fluorophenylalanine is useful in the treatment of cancer as it has neoplasm-inhibiting activity.
Technology Process of (2S)-2-acetamido-3-(3-fluorophenyl)propanoic acid

There total 7 articles about (2S)-2-acetamido-3-(3-fluorophenyl)propanoic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:
Guidance literature:
With ((R,R)-1,2-bis(tert-butylmethylphosphino)-4,5-(methylenedioxy)benzene)(1,5-cyclooctadiene)rhodium(1+)hexafluoroantimonate; hydrogen; In methanol; at 20 ℃; for 1h; under 2280.15 Torr;
Guidance literature:
With hydrogen; di(norbornadiene)rhodium(I) tetrafluoroborate; (S)-O,O'-(1,1'-dinaph-2,2'diyl)-N-Me2P-amidite; In dichloromethane; at 20 ℃; for 2h; under 7500.75 Torr;
DOI:10.1002/adsc.200390026
Guidance literature:
Multi-step reaction with 2 steps
1: aqueous NaOH / anschliessend Erhitzen mit wss. HCl
2: papain
With sodium hydroxide; papain;
DOI:10.1021/ja01160a113
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