2-Fluoro-4-hydroxybenzoic Acid

Base Information

• Chemical Name: 2-Fluoro-4-hydroxybenzoic Acid
• CAS No.: 65145-13-3
• Molecular Formula: C7H5FO3
• Molecular Weight: 156.113
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID60382637
• Nikkaji Number: J732.582G
• Wikidata: Q72479938
• ChEMBL ID: CHEMBL4239687
• Mol file: 65145-13-3.mol

Synonyms:2-Fluoro-4-hydroxybenzoic Acid;65145-13-3;2-fluoro-4-hydroxy-benzoic Acid;Benzoic acid, 2-fluoro-4-hydroxy-;MFCD01310985;4-hydroxyfluorobenzoic acid;SCHEMBL311907;4-hydroxy-2-fluorobenzoic acid;2-Fluoro4-hydroxy-benzoic acid;CHEMBL4239687;2-fluoro-4-hydroxy benzoic acid;NXWTWYULZRDBSA-UHFFFAOYSA-;DTXSID60382637;NXWTWYULZRDBSA-UHFFFAOYSA-N;AKOS005259825;AC-3958;AM82926;CS-W002753;FS-2035;SY018201;2-Fluoro-4-hydroxybenzoic acid, AldrichCPR;F0571;FT-0640994;A19985;A20001;EN300-109857;J-509401;Z1201620915;InChI=1/C7H5FO3/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3,9H,(H,10,11)

Chemical Property of 2-Fluoro-4-hydroxybenzoic Acid

Chemical Property:

• Vapor Pressure: 4.99E-05mmHg at 25°C
• Melting Point: 199-202 °C
• Refractive Index: 1.585
• Boiling Point: 334.6 °C at 760 mmHg
• PKA: 3?+-.0.10(Predicted)
• Flash Point: 156.2 °C
• PSA: 57.53000
• Density: 1.492 g/cm³
• LogP: 1.22950
• Solubility.: soluble in Methanol
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 156.02227218
• Heavy Atom Count: 11
• Complexity: 160

Purity/Quality:

99% ^*data from raw suppliers

2-Fluoro-4-hydroxybenzoic Acid ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1O)F)C(=O)O
• Uses: 2-Fluoro-4-hydroxybenzoic Acid, is a fluorinated building block used for the synthesis of more complex pharmaceutical and biologically active compounds. It is also fluorine substituted 4-hydroxybenzoates, which has been shown to have antioxidant activity.

Technology Process of 2-Fluoro-4-hydroxybenzoic Acid

There total 17 articles about 2-Fluoro-4-hydroxybenzoic 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%

2-fluoro-4-hydroxybenzonitrile (82380-18-5) → 2-fluoro-4-hydroxybenzoic acid (65145-13-3)

Guidance literature:

2-fluoro-4-hydroxybenzonitrile; With sodium hydroxide; In water; for 4h; Heating / reflux;

With hydrogenchloride; In water; at 20 ℃;

Reference yield: 89.0%

3-chloro-2-fluoro-4-hydroxybenzoic acid (860296-15-7) → 2-fluoro-4-hydroxybenzoic acid (65145-13-3)

Guidance literature:

With ammonium formate; palladium on activated charcoal; In methanol; at 25 ℃; for 20h;

DOI:10.1002/ejoc.200400895

Reference yield: 89.0%

2-fluoro-4-propoxybenzoic acid (203115-96-2) → 2-fluoro-4-hydroxybenzoic acid (65145-13-3)

Guidance literature:

With boron tribromide; In dichloromethane; at -78 - 20 ℃;

DOI:10.1016/S0040-4039(98)01541-X

upstream raw materials:

2-fluoro-4-hydroxybenzonitrile

2-fluoro-4-propoxybenzoic acid

2,4-difluoro-benzoic acid

3-chloro-2-fluoro-4-hydroxybenzoic acid

Downstream raw materials:

4-butoxy-2-fluorobenzoic acid

2-Fluoro-4-pentyloxy-benzoic acid

4-n-hexyloxy-2-fluorobenzoic acid

2-Fluoro-4-hydroxy-benzoic acid 2-methyl-butyl ester

Refernces

• 1、 Ziobro, Dorota,Dziaduszek, Jerzy,Filipowicz, Marek,Dabrowski, Roman,Czu, Joanna,Urban, Stanislaw. "Synthesis of fluorosubstituted three ring esters and their dielectric properties". experimental part. p. 258 - 271. Retrieved 2012/08/08.
• 2、 Marzi, Elena,Bobbio, Carla,Cottet, Fabrice,Schlosser, Manfred. "Converting core compounds into building blocks: The concept of regiochemically exhaustive functionalization". . p. 2116 - 2123. Retrieved 2007/10/03.