2-Fluoro-5-hydroxybenzoic acid

Base Information

• Chemical Name: 2-Fluoro-5-hydroxybenzoic acid
• CAS No.: 51446-30-1
• Molecular Formula: C7H5FO3
• Molecular Weight: 156.113
• Hs Code.: 2918290000
• DSSTox Substance ID: DTXSID30379054
• Nikkaji Number: J1.594.337H
• Wikidata: Q72479947
• Mol file: 51446-30-1.mol

Synonyms:2-fluoro-5-hydroxybenzoic acid;51446-30-1;Benzoic acid, 2-fluoro-5-hydroxy-;MFCD01862084;2-Fluoro-5-hydroxybenozic acid;2-fluoro-5-hydroxybenozicacid;SCHEMBL1264408;6-Fluoro-3-hydroxybenzoic acid;DTXSID30379054;CZNFABVUVHWEJF-UHFFFAOYSA-N;BBL100666;CL8046;STL554460;AKOS005254790;AM84136;CS-W018013;FS-1323;AC-26046;SY021836;2-Fluoro-5-hydroxybenzoic acid, AldrichCPR;FT-0600854;A20332;EN300-101877;Q-200279;F0001-1343

Chemical Property of 2-Fluoro-5-hydroxybenzoic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 201-203 °C
• Refractive Index: 1.585
• Boiling Point: 354.799 °C at 760 mmHg
• PKA: 3.15±0.10(Predicted)
• Flash Point: 168.376 °C
• PSA: 57.53000
• Density: 1.492 g/cm³
• LogP: 1.22950
• 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-5-hydroxybenzoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C,Xi
• Hazard Codes: C,Xi,Xn
• Statements: 36/37/38-51-41-22
• Safety Statements: 26-36-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1O)C(=O)O)F

Technology Process of 2-Fluoro-5-hydroxybenzoic acid

There total 5 articles about 2-Fluoro-5-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: 99.0%

2-fluoro-5-methoxybenzoic acid (367-83-9) → 2-fluoro-5-hydroxybenzoic acid (51446-30-1)

Guidance literature:

With hydrogen bromide; acetic acid; at 140 ℃; for 16h;

DOI:10.1021/jm061107l

Reference yield: 91.0%

methyl 2-fluoro-5-hydroxybenzoate (1084801-91-1) → 2-fluoro-5-hydroxybenzoic acid (51446-30-1)

Guidance literature:

With lithium hydroxide monohydrate; In tetrahydrofuran; water; at 20 ℃; for 16h;

Reference yield: 87.0%

5-bromo-2-fluoro-benzoic acid (146328-85-0) → 2-fluoro-5-hydroxybenzoic acid (51446-30-1)

Guidance literature:

5-bromo-2-fluoro-benzoic acid; With water; sodium carbonate; for 1h; Reflux;

With (R,R)-N,N'-dimethyl-1,2-diaminocyclohexane; copper(ll) bromide; Reflux;

upstream raw materials:

2-fluoro-5-methoxybenzoic acid

4-fluorophenyl methoxymethyl ether

2-fluoro 5-methoxybenzonitrile

methyl 2-fluoro-5-hydroxybenzoate

Downstream raw materials:

methyl 2-fluoro-5-hydroxybenzoate

Refernces

• 1、 DiMauro, Erin F.,Altmann, Stephen,Berry, Loren M.,Bregman, Howard,Chakka, Nagasree,Chu-Moyer, Margaret,Bojic, Elma Feric,Foti, Robert S.,Fremeau, Robert,Gao, Hua,Gunaydin, Hakan,Guzman-Perez, Angel,Hall, Brian E.,Huang, Hongbing,Jarosh, Michael,Kornecook, Thomas,Lee, Josie,Ligutti, Joseph,Liu, Dong,Moyer, Bryan D.,Ortuno, Daniel,Rose, Paul E.,Schenkel, Laurie B.,Taborn, Kristin,Wang, Jean,Wang, Yan,Yu, Violeta,Weiss, Matthew M.. "Application of a Parallel Synthetic Strategy in the Discovery of Biaryl Acyl Sulfonamides as Efficient and Selective NaV1.7 Inhibitors". . p. 7818 - 7839. Retrieved 2016/10/12.
• 2、 -. "POLY (ADP-RIBOSE) POLYMERASE INHIBITOR". Paragraph 0091; 0062. . Retrieved 2015/02/25.