3-(2-Fluorophenyl)propionic acid

Base Information

• Chemical Name: 3-(2-Fluorophenyl)propionic acid
• CAS No.: 1643-26-1
• Molecular Formula: C9H9FO2
• Molecular Weight: 168.168
• Hs Code.: 29163990
• European Community (EC) Number: 625-754-3
• DSSTox Substance ID: DTXSID00366370
• Nikkaji Number: J2.123.014F
• Wikidata: Q72476358
• Mol file: 1643-26-1.mol

Synonyms:3-(2-Fluorophenyl)propionic acid;1643-26-1;3-(2-fluorophenyl)propanoic acid;Benzenepropanoic acid, 2-fluoro-;MFCD01310820;3-(2-Fluoro-phenyl)-propionic acid;SCHEMBL246473;F9995-0946;DTXSID00366370;GUZLQEOSDXLCKX-UHFFFAOYSA-N;BCP22481;3- (2-fluorophenyl) propionic acid;AB3822;BBL025641;STL356772;AKOS000113703;AB08452;AM84190;CS-W007890;MS-3534;3-(2-Fluorophenyl)propionic acid, 97%;AC-14114;SY016160;BB 0217991;FT-0626991;FT-0633730;EN300-11994;A810555;J-640234;J-800235;Z57991059;Ambrisentan/BSF208075,(+)-(2S)-2-[(4,6-DIMETHYLPYRIMIDIN-2-YL)OXY]-3-METHOXY-3,3-DIPHENYLPROPANOICACID

Chemical Property of 3-(2-Fluorophenyl)propionic acid

Chemical Property:

• Vapor Pressure: 0.00275mmHg at 25°C
• Melting Point: 76 °C
• Boiling Point: 273.7 °C at 760 mmHg
• PKA: 4.65±0.10(Predicted)
• Flash Point: 119.3 °C
• PSA: 37.30000
• Density: 1.222 g/cm³
• LogP: 1.84290
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 168.05865769
• Heavy Atom Count: 12
• Complexity: 159

Purity/Quality:

97% ^*data from raw suppliers

3-(2-Fluorophenyl)propanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, C, Xi
• Hazard Codes: C,Xi,Xn
• Statements: 36/37/38-22
• Safety Statements: 26-36/37/39

MSDS Files:

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 3-(2-Fluorophenyl)propionic acid

There total 21 articles about 3-(2-Fluorophenyl)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: 100.0%

4-(2-fluorophenyl)but-3-enoic acid → 3-(2-fluorophenyl)propionic acid (1643-26-1)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In ethanol; for 1h;

DOI:10.1021/jm400336x

Reference yield: 99.0%

2-fluorocinnamic acid (451-69-4) → 3-(2-fluorophenyl)propionic acid (1643-26-1)

Guidance literature:

With palladium diacetate; 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane; In dichloromethane; at 25 ℃; for 12h; chemoselective reaction; Sealed tube; Inert atmosphere;

DOI:10.1002/adsc.202000759

Reference yield: 89.0%

2-fluorocinnamic acid (18944-77-9) → 3-(2-fluorophenyl)propionic acid (1643-26-1)

Guidance literature:

With phosphorus; hydrogen iodide;

DOI:10.1021/jo972065z

upstream raw materials:

2-fluorocinnamic acid

diethyl 2-(2-fluorophenyl)ethane-1,1-dicarboxylate

2-fluorocinnamic acid

α-(o-Fluorbenzyl)malonsaeure

Downstream raw materials:

methyl 3-(2-fluorophenyl)propanoate

3-[2-(fluoro)phenyl]propionamide

3-(2-fluorophenyl)propanethioamide

3-(2-fluorophenyl)-N-(t-butyl)propanamide