(2S)-2-acetamido-3-(4-fluorophenyl)propanoic acid

Base Information

• Chemical Name: (2S)-2-acetamido-3-(4-fluorophenyl)propanoic acid
• CAS No.: 17481-06-0
• Molecular Formula: C11H12FNO3
• Molecular Weight: 225.22
• Hs Code.: 2924299090
• European Community (EC) Number: 241-495-5
• Nikkaji Number: J263.692A
• Wikidata: Q76006036
• Mol file: 17481-06-0.mol

Synonyms:(2S)-2-acetamido-3-(4-fluorophenyl)propanoic acid;n-acetyl-4-fluoro-l-phenylalanine;n-acetyl-dl-4-fluorophenylalanine;SCHEMBL5996017;EINECS 241-495-5;N-ACETYL-P-FLUOROPHENYLALANINE;AKOS037645590;NSC 523829;N-Acetyl-4-fluoro-3-phenyl-DL-alanine;330-81-4;AS-61607;D94559;EN300-28274496

Chemical Property of (2S)-2-acetamido-3-(4-fluorophenyl)propanoic acid

Chemical Property:

• Appearance/Colour: white powder
• Vapor Pressure: 3.25E-09mmHg at 25°C
• Melting Point: 150-153 °C(lit.)
• Boiling Point: 458.9 °C at 760 mmHg
• Flash Point: 231.3 °C
• PSA: 66.40000
• Density: 1.273 g/cm³
• LogP: 1.34840
• Storage Temp.: Keep Cold
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 225.08012141
• Heavy Atom Count: 16
• Complexity: 262

Purity/Quality:

97% ^*data from raw suppliers

N-Acetyl-4-fluoro-DL-phenylalanine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(=O)NC(CC1=CC=C(C=C1)F)C(=O)O
• Isomeric SMILES: CC(=O)N[C@@H](CC1=CC=C(C=C1)F)C(=O)O

Technology Process of (2S)-2-acetamido-3-(4-fluorophenyl)propanoic acid

There total 4 articles about (2S)-2-acetamido-3-(4-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:

Reference yield: 45.0%

N-Acetamidoacrylic acid (5429-56-1) + 4-fluorobenzenediazonium tetrafluoroborate (459-45-0) → rac-Ac-p-F-Phe-OH (17481-06-0)

Guidance literature:

With hydrogenchloride; titanium(III) chloride; In water; at 40 ℃; for 0.583333h;

DOI:10.1016/j.tet.2008.07.117

Reference yield:

→ rac-Ac-p-F-Phe-OH (17481-06-0)

Guidance literature:

With sodium hydroxide; anschliessend Erhitzen mit wss. HCl;

DOI:10.1021/ja01160a113

Reference yield:

diethyl α-acetamido, α-(4-fluorobenzyl)malonate (380-71-2) → rac-Ac-p-F-Phe-OH (17481-06-0)

Guidance literature:

With sodium hydroxide; anschliessend Erhitzen mit wss. HCl;

DOI:10.1021/ja01160a113

upstream raw materials:

diethyl α-acetamido, α-(4-fluorobenzyl)malonate

N-Acetamidoacrylic acid

4-fluorobenzenediazonium tetrafluoroborate

4-Fluorophenylalanine

Downstream raw materials:

(R)-N-acetyl-p-fluorophenylalanine

N-acetyl-4-fluoro-L-phenylalanine-(N'-phenyl-hydrazide)

L-4-fluorophenylalanine

(R)-4-fluorophenylalanine

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