3-(3-Fluoro-4-hydroxyphenyl)propionic acid

Base Information

• Chemical Name: 3-(3-Fluoro-4-hydroxyphenyl)propionic acid
• CAS No.: 69888-91-1
• Molecular Formula: C9H9 F O3
• Molecular Weight: 184.167
• European Community (EC) Number: 274-187-4
• DSSTox Substance ID: DTXSID70990166
• Nikkaji Number: J318.079D
• Wikidata: Q82979530
• Mol file: 69888-91-1.mol

Synonyms:69888-91-1;3-(3-fluoro-4-hydroxyphenyl)propanoic acid;3-(3-Fluoro-4-hydroxyphenyl)propionic acid;EINECS 274-187-4;SCHEMBL3336184;DTXSID70990166;RMXXLSLLEBZFBS-UHFFFAOYSA-N;MFCD18396901;3-Fluoro-4-hydroxybenzenepropionic acid;3-(3-fluoro-4-hydroxyphenyl)propanoicacid;3-(3'-Fluoro-4'-hydroxyphenyl)propionic acid;F52917;EN300-1858359;A1-37796

Chemical Property of 3-(3-Fluoro-4-hydroxyphenyl)propionic acid

Chemical Property:

• Vapor Pressure: 7.21E-05mmHg at 25°C
• Boiling Point: 329.3°C at 760 mmHg
• Flash Point: 152.9°C
• PSA: 57.53000
• Density: 1.353g/cm³
• LogP: 1.54850
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 184.05357231
• Heavy Atom Count: 13
• Complexity: 184

Purity/Quality:

99% ^*data from raw suppliers

3-(3'-Fluoro-4'-hydroxyphenyl)propionicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1CCC(=O)O)F)O

Technology Process of 3-(3-Fluoro-4-hydroxyphenyl)propionic acid

There total 5 articles about 3-(3-Fluoro-4-hydroxyphenyl)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: 90.0%

3-(3-fluoro-4-hydroxyphenyl)propionic acid methyl ester (590417-24-6) → 3-(3-fluoro-4-hydroxyphenyl)Propionic Acid (69888-91-1)

Guidance literature:

With water; lithium hydroxide; In tetrahydrofuran; methanol;

DOI:10.1016/j.bmcl.2009.10.134

Reference yield:

3-(3-fluoro-4-methoxyphenyl)propionic acid (69888-90-0) → 3-(3-fluoro-4-hydroxyphenyl)Propionic Acid (69888-91-1)

Guidance literature:

With pyridine hydrochloride; at 190 ℃; for 1.5h;

Reference yield:

C9H8FO3(1-)*Li(1+) → 3-(3-fluoro-4-hydroxyphenyl)Propionic Acid (69888-91-1)

Guidance literature:

With hydrogenchloride; In dichloromethane; water; pH=2;

upstream raw materials:

3-(3-fluoro-4-methoxyphenyl)propionic acid

3-(3-fluoro-4-hydroxyphenyl)propionic acid methyl ester

methyl (E)-3-(3-fluoro-4-hydroxyphenyl)acrylate

4-bromo-2-fluorophenol

Downstream raw materials:

5-fluoro-6-hydroxyindan-1-one