3,4-Difluoro-2-hydroxybenzoic acid

Base Information

• Chemical Name: 3,4-Difluoro-2-hydroxybenzoic acid
• CAS No.: 189283-51-0
• Molecular Formula: C7H4 F2 O3
• Molecular Weight: 174.104
• Hs Code.: 2918290090
• European Community (EC) Number: 642-481-5
• DSSTox Substance ID: DTXSID90374262
• Nikkaji Number: J2.073.326H
• Wikidata: Q72464273
• ChEMBL ID: CHEMBL3793889
• Mol file: 189283-51-0.mol

Synonyms:3,4-difluoro-2-hydroxybenzoic acid;189283-51-0;3,4-difluorosalicylic acid;Benzoic acid, 3,4-difluoro-2-hydroxy-;MFCD03428564;3,4-difluoro-2-hydroxy-benzoic Acid;SCHEMBL1922498;CHEMBL3793889;3,4-difluoro-hydroxybenzoic acid;AMY2987;DTXSID90374262;GWOOBUWKTOCYKY-UHFFFAOYSA-N;3,4-difluoro-2-hydroxybenzoicacid;3,4-difluro-2-hydroxybenzoic acid;3,4-difluoro-2-hydroxy benzoic acid;AKOS012335373;AS-19927;BP-10523;SY106631;CS-0067839;EN300-159998;3,4-difluoro-2-hydroxybenzoic acid, AldrichCPR;A813313

Chemical Property of 3,4-Difluoro-2-hydroxybenzoic acid

Chemical Property:

• Melting Point: 177-179°C
• Boiling Point: 282℃
• PKA: 2.32±0.13(Predicted)
• Flash Point: 124℃
• Density: 1.600
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 174.01285031
• Heavy Atom Count: 12
• Complexity: 186

Purity/Quality:

99% ^*data from raw suppliers

3,4-Difluoro-2-hydroxybenzoicAcid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1C(=O)O)O)F)F

Technology Process of 3,4-Difluoro-2-hydroxybenzoic acid

There total 7 articles about 3,4-Difluoro-2-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: 96.0%

2-methoxy-3,4-difluorobenzoic acid (875664-52-1) → 3,4-difluoro-2-hydroxybenzoic acid (189283-51-0)

Guidance literature:

With hydrogen bromide; at 80 ℃; for 2h;

DOI:10.1016/j.bmcl.2016.03.107

Reference yield: 95.1%

2,3,4,-trifluorobenzoic acid (61079-72-9) → 3,4-difluoro-2-hydroxybenzoic acid (189283-51-0)

Guidance literature:

With 1,3-dimethyl-2-imidazolidinone; sodium hydroxide; at 130 ℃; for 2h;

DOI:10.1016/S0022-1139(02)00342-1

Reference yield: 95.1%

1,3-dimethyl-2-imidazolidinone (80-73-9) + 2,3,4,-trifluorobenzoic acid (61079-72-9) → 3,4-difluoro-2-hydroxybenzoic acid (189283-51-0)

Guidance literature:

With sodium hydroxide;

upstream raw materials:

2,3,4,-trifluorobenzoic acid

carbon dioxide

2,3-difluorophenol

1,3-dimethyl-2-imidazolidinone

Downstream raw materials:

3,4-difluoro-2-hydroxy-benzaldehyde

ethyl 3-(3,4-difluoro-2-hydroxyphenyl)-2-propanoate

ethyl (2E)-3-(3,4-difluoro-2-hydroxyphenyl)-2-propenoate

Refernces

• 1、 -. "TRICYCLIC INHIBITORS OF THE BCL6 BTB DOMAIN PROTEIN-PROTEIN INTERACTION AND USES THEREOF". Paragraph 00214. . Retrieved 2019/07/13.
• 2、 Shchegol'Kov, Evgeny V.,Shchur, Irina V.,Burgart, Yanina V.,Saloutin, Victor I.,Solodnikov, Sergey Yu.,Krasnykh, Olga P.,Kravchenko, Marionella A.. "A convenient and efficient approach to polyfluorosalicylic acids and their tuberculostatic activity". . p. 2455 - 2458. Retrieved 2016/07/07.