3-(3-Fluorophenoxy)propanoic acid

Base Information

• Chemical Name: 3-(3-Fluorophenoxy)propanoic acid
• CAS No.: 133077-42-6
• Molecular Formula: C9H9FO3
• Molecular Weight: 184.167
• Hs Code.: 2918990090
• European Community (EC) Number: 829-573-2
• DSSTox Substance ID: DTXSID30567999
• Wikidata: Q82454098
• Mol file: 133077-42-6.mol

Synonyms:3-(3-fluorophenoxy)propanoic acid;133077-42-6;3-(3-Fluorophenoxy)propionic Acid;3-(3-Fluoro-phenoxy)-propionic acid;3-(3-fluorophenoxy)propanoicacid;MFCD01931913;Propanoic acid, 3-(3-fluorophenoxy)-;3-(3-Fluorophenoxy)propionicAcid;SCHEMBL1889231;AMY4724;DTXSID30567999;TWGIQPNNPXKPLC-UHFFFAOYSA-N;3-(3-fluorophenoxy) propionic acid;3-(3-fluorophenoxy)-propionic acid;AC1671;AKOS000104060;3-[(3-fluorophenyl)oxy]propanoic acid;CS-11185;SY008349;CS-0156872;EN300-31320;A888190;J-006304;Z240085194;AKOS BB659;AKOS BBV-009270;3-(3-FLUORO-PHENOXY)-PROPIONIC ACID

Chemical Property of 3-(3-Fluorophenoxy)propanoic acid

Chemical Property:

• Vapor Pressure: 0.006mmHg at 25°C
• Boiling Point: 262.202°C at 760 mmHg
• PKA: 4.17±0.10(Predicted)
• Flash Point: 112.376°C
• PSA: 46.53000
• Density: 1.268g/cm³
• LogP: 1.67920
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 184.05357231
• Heavy Atom Count: 13
• Complexity: 172

Purity/Quality:

97% ^*data from raw suppliers

3-(3-Fluoro-phenoxy)-propionic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)F)OCCC(=O)O

Technology Process of 3-(3-Fluorophenoxy)propanoic acid

There total 6 articles about 3-(3-Fluorophenoxy)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: 90.0%

3-(3-fluorophenoxy)-1-propanol (133077-41-5) → 3-(3-fluorophenoxy)propanoic acid (133077-42-6)

Guidance literature:

With chromium(VI) oxide; sulfuric acid; water; In acetone; at 0 ℃;

3-(3-fluorophenoxy)-1-propanol; at 0 ℃; for 6h;

Reference yield: 87.5%

Methyl 3-bromopropionate (3395-91-3) + 3-fluorophenol (372-20-3) → 3-(3-fluorophenoxy)propanoic acid (133077-42-6)

Guidance literature:

Methyl 3-bromopropionate; 3-fluorophenol; With potassium carbonate; In tetrahydrofuran; at 70 ℃; for 16h;

With lithium hydroxide; In water; at 20 ℃; for 5h;

Reference yield: 85.0%

3-(3-fluorophenoxy)propanenitrile (844648-05-1) → 3-(3-fluorophenoxy)propanoic acid (133077-42-6)

Guidance literature:

3-(3-fluorophenoxy)propanenitrile; With hydrogenchloride; In water; for 16h; Heating / reflux;

With sodium hydroxide; In water;

With hydrogenchloride; In water;

upstream raw materials:

3-(3-fluorophenoxy)propanenitrile

3-(3-fluorophenoxy)-1-propanol

3-Bromopropionic acid

3-fluorophenol

Downstream raw materials:

8-fluoro-2,3-dihydro-4-H-1-benzopyran-4-one

3,4-dihydro-7-fluoro-2H-1-benzopyran-4-one

5-fluoro-2,3-dihydro-4H-chromen-4-one

8-(5-fluorochroman-4-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one