3-Fluoropropionic acid

Base Information

• Chemical Name: 3-Fluoropropionic acid
• CAS No.: 461-56-3
• Molecular Formula: C3H5 F O2
• Molecular Weight: 92.0699
• Hs Code.: 2915900090
• European Community (EC) Number: 207-311-2
• DSSTox Substance ID: DTXSID7060041
• Nikkaji Number: J92.679E
• Wikidata: Q81989042
• Mol file: 461-56-3.mol

Synonyms:3-fluoropropanoic acid;461-56-3;3-FLUOROPROPIONIC ACID;Propanoic acid, 3-fluoro-;beta-Fluoropropionic acid;EINECS 207-311-2;MFCD01695563;Propionic acid, 3-fluoro-;BRN 1740478;3-FLUOROPROPANOICACID;3-fluoro-propionic acid;3-FLUOROPROPIONICACID;DTXSID7060041;AKOS006278718;AM803932;AS-57793;SY008508;LS-124684;CS-0038385;FT-0647641;EN300-97758;A872282

Chemical Property of 3-Fluoropropionic acid

Chemical Property:

• Vapor Pressure: 0.318mmHg at 25°C
• Boiling Point: 185.4°C at 760 mmHg
• PKA: 3.89±0.10(Predicted)
• Flash Point: 65.9°C
• PSA: 37.30000
• Density: 1.178g/cm³
• LogP: 0.43060
• Storage Temp.: 2-8°C
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 92.02735756
• Heavy Atom Count: 6
• Complexity: 52.8

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-Fluoropropanoic acid 95% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,C

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CF)C(=O)O

Technology Process of 3-Fluoropropionic acid

There total 6 articles about 3-Fluoropropionic 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: 48.0%

succinic acid (110-15-6) → 3-fluoropropanoic acid (461-56-3)

Guidance literature:

With potassium carbonate; titanium(IV) oxide; Selectfluor; In water; at 25 ℃; for 0.5h; Irradiation;

DOI:10.1021/acscatal.8b02844

Reference yield:

propionic acid (802294-64-0,79-09-4) → 3-fluoropropanoic acid (461-56-3)

Guidance literature:

With Selectfluor; acetophenone; In acetonitrile; at 27 ℃; for 40h; Inert atmosphere; Irradiation;

DOI:10.1039/c4cc05650g

Reference yield:

2-fluoroethyl bromide (762-49-2) → 3-fluoropropanoic acid (461-56-3)

Guidance literature:

With diethyl ether; magnesium; und anschliessenden Behandeln mit Kohlendioxid;

upstream raw materials:

ethene

methylammonium carbonate

2-fluoroethyl bromide

3-fluoropropane-1-ol

Downstream raw materials:

L-2-bromo-3-fluoro-propionic acid

3-fluoro-propionic acid-anhydride

Refernces

• 1、 Tarantino,Botti,Dimitratos,Hammond. "Catalytic formation of C(sp3)-F bonds via decarboxylative fluorination with mechanochemically-prepared Ag2O/TiO2 heterogeneous catalysts". . p. 30185 - 30190. Retrieved 2017/07/11.
• 2、 -. "6-Substituted pyrido-pyrimidines". . . Retrieved 2008/06/13.