3-(2,6-Difluorophenyl)propanoic acid

Base Information

• Chemical Name: 3-(2,6-Difluorophenyl)propanoic acid
• CAS No.: 167683-63-8
• Molecular Formula: C9H8F2O2
• Molecular Weight: 186.158
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID80593445
• Wikidata: Q82487935
• Mol file: 167683-63-8.mol

Synonyms:167683-63-8;3-(2,6-difluorophenyl)propanoic acid;3-(2,6-Difluorophenyl)propionic acid;Benzenepropanoic acid, 2,6-difluoro-;MFCD06823978;2,6-Difluoro-benzenepropanoic acid;3-(2,6-Difluorophenyl)propionicAcid;SCHEMBL4714927;DTXSID80593445;2,6-difluoroBenzenepropanoic acid;AMY20207;VTB01048;AKOS000174041;AB93143;AC-23586;AS-32393;SY013788;DB-064655;EN300-37543;3-(2 pound not6-Difluorophenyl)propionic Acid;J-510478;Z317037972

Chemical Property of 3-(2,6-Difluorophenyl)propanoic acid

Chemical Property:

• Boiling Point: 266.8±25.0 °C(Predicted)
• PKA: 4?+-.0.10(Predicted)
• PSA: 37.30000
• Density: 1.312±0.06 g/cm3(Predicted)
• LogP: 1.98200
• Storage Temp.: 2-8°C
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 186.04923582
• Heavy Atom Count: 13
• Complexity: 175

Purity/Quality:

97% ^*data from raw suppliers

3-(2,6-Difluorophenyl)propionicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-(2,6-Difluorophenyl)propanoic acid

There total 1 articles about 3-(2,6-Difluorophenyl)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: 78.0%

2-vinyl-1,3-dioxolane (3984-22-3) + 1-bromo-2,6-difluorobenzene (64248-56-2) → 3-(2,6-difluorophenyl)propionic acid (167683-63-8)

Guidance literature:

2-vinyl-1,3-dioxolane; 1-bromo-2,6-difluorobenzene; With potassium carbonate; Pd-Tedicyp catalyst; In N,N-dimethyl-formamide; at 110 ℃; for 20h;

With sodium hydroxide; water; In N,N-dimethyl-formamide; at 50 - 80 ℃;

DOI:10.1016/j.tet.2004.09.061

Reference yield: 100.0%

3-(2,6-difluorophenyl)propionic acid (167683-63-8) → 3-(2,6-difluorophenyl)propanamide

Guidance literature:

3-(2,6-difluorophenyl)propionic acid; With thionyl chloride; for 2h; Reflux;

With ammonia; In tetrahydrofuran; at 0 ℃; pH=> 7;

Reference yield:

pivaloyl chloride (3282-30-2) + 3-(2,6-difluorophenyl)propionic acid (167683-63-8) → C14H16F2O3

Guidance literature:

With triethylamine; In tetrahydrofuran;

DOI:10.1016/j.jfluchem.2008.02.004

upstream raw materials:

2-vinyl-1,3-dioxolane

1-bromo-2,6-difluorobenzene