2-Amino-2-(4-fluoro-phenyl)-propionic acid

Base Information

• Chemical Name: 2-Amino-2-(4-fluoro-phenyl)-propionic acid
• CAS No.: 312-44-7
• Molecular Formula: C₉H₁₀FNO₂
• Molecular Weight: 183.182
• Hs Code.: 2922498590
• European Community (EC) Number: 801-026-2
• NSC Number: 37017
• DSSTox Substance ID: DTXSID20405396
• Nikkaji Number: J1.264.600C
• Mol file: 312-44-7.mol

Synonyms:2-Amino-2-(4-fluoro-phenyl)-propionic acid;312-44-7;2-amino-2-(4-fluorophenyl)propanoic Acid;6331-62-0;SCHEMBL3621887;DTXSID20405396;NSC37017;BBL020452;MFCD02662600;NSC-37017;STK893169;AKOS000186369;AKOS016053105;NS-01623;2-Amino-2-(4-fluorophenyl)propionic acid;2-Amino-2-(4-fluoro-phenyl)-propionicacid;CS-0154103;D83077;EN300-171175;Z317024742;2-Amino-2-(4-fluoro-phenyl)-propionic acid (H-DL-aMePhg(4-F)-OH)

Chemical Property of 2-Amino-2-(4-fluoro-phenyl)-propionic acid

Chemical Property:

• Boiling Point: 296.0±30.0 °C(Predicted)
• PKA: 1.95±0.10(Predicted)
• PSA: 63.32000
• Density: 1.288±0.06 g/cm3(Predicted)
• LogP: 1.78450
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: -1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 183.06955672
• Heavy Atom Count: 13
• Complexity: 202

Purity/Quality:

97% ^*data from raw suppliers

2-Amino-2-(4-fluorophenyl)propanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC=C(C=C1)F)(C(=O)O)N

Technology Process of 2-Amino-2-(4-fluoro-phenyl)-propionic acid

There total 2 articles about 2-Amino-2-(4-fluoro-phenyl)-propionic 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: 71.0%

5-(4-fluoro-phenyl)-5-methyl-imidazolidine-2,4-dione (428-22-8,6270-38-8) → 4-fluoro-α-methylphenylglycine (312-44-7,252268-21-6)

Guidance literature:

With potassium hydroxide; In water; for 48h; Heating;

DOI:10.1016/S0022-328X(99)00689-0

Reference yield:

1-(4-fluorophenyl)ethanone (403-42-9) → 4-fluoro-α-methylphenylglycine (312-44-7,252268-21-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 68 percent / (NH₄)2CO₃ / H₂O; ethanol / 2 h / 40 °C

2: 71 percent / 85 percent KOH / H₂O / 48 h / Heating

With potassium hydroxide; ammonium carbonate; In ethanol; water; 1: Bucherer reaction / 2: Hydrolysis;

DOI:10.1016/S0022-328X(99)00689-0

Reference yield: 75.0%

4-fluoro-α-methylphenylglycine (312-44-7,252268-21-6) + diphenylphosphane (829-85-6) → α-(4-diphenylphosphinophenyl)-α-methylglycine

Guidance literature:

diphenylphosphane; With potassium; In 1,2-dimethoxyethane;

4-fluoro-α-methylphenylglycine; In 1,2-dimethoxyethane; for 48h; Heating;

DOI:10.1016/S0022-328X(99)00689-0

upstream raw materials:

5-(4-fluoro-phenyl)-5-methyl-imidazolidine-2,4-dione

1-(4-fluorophenyl)ethanone