2,6-difluoro-4-Hydroxybenzoic Acid

Base Information

• Chemical Name: 2,6-difluoro-4-Hydroxybenzoic Acid
• CAS No.: 214917-68-7
• Molecular Formula: C₇H₄F₂O₃
• Molecular Weight: 174.104
• Hs Code.: 29189900
• European Community (EC) Number: 630-270-0
• DSSTox Substance ID: DTXSID20381126
• Wikidata: Q72462946
• Mol file: 214917-68-7.mol

Synonyms:2,6-difluoro-4-Hydroxybenzoic Acid;214917-68-7;2,6-difluoro-4-hydroxy-benzoic Acid;Benzoic acid, 2,6-difluoro-4-hydroxy-;MFCD03094500;2,6-Difluoro-4-hydroxybenzoicacid;SCHEMBL198786;DTXSID20381126;NFIQGYBXSJQLSR-UHFFFAOYSA-N;AMY24901;BBL101992;STL555789;AKOS006228607;CS-W003008;PS-6867;AC-26039;D3985;FT-0601443;EN300-80637;A20296;J-507469;Z1201622051

Chemical Property of 2,6-difluoro-4-Hydroxybenzoic Acid

Chemical Property:

• Vapor Pressure: 0.000109mmHg at 25°C
• Melting Point: 170-171 °C
• Refractive Index: 1.557
• Boiling Point: 323.3 °C at 760 mmHg
• PKA: 2.71±0.10(Predicted)
• Flash Point: 149.3 °C
• PSA: 57.53000
• Density: 1.6 g/cm³
• LogP: 1.36860
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 174.01285031
• Heavy Atom Count: 12
• Complexity: 174

Purity/Quality:

99% ^*data from raw suppliers

2,6-Difluoro-4-hydroxybenzoic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1F)C(=O)O)F)O
• Uses: 2,6-Difluoro-4-hydroxybenzoic Acid is a fluorobenzoic acid derivative and a synthetic intermediate in the synthesis of various pharmaceutical goods.

Technology Process of 2,6-difluoro-4-Hydroxybenzoic Acid

There total 5 articles about 2,6-difluoro-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%

2,6-difluoro-4-hydroxybenzonitrile (123843-57-2) → 2,6-difluoro-4-hydroxybenzoic acid (214917-68-7)

Guidance literature:

With water; sodium hydroxide; In water; at 80 ℃;

Reference yield: 87.0%

2,4,6-trifluorobenzoic acid (28314-80-9) → 2,6-difluoro-4-hydroxybenzoic acid (214917-68-7) + 4,6-difluoro-2-hydroxybenzoic acid (189283-54-3)

Guidance literature:

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

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

Reference yield: 83.0%

carbon dioxide (124-38-9,18923-20-1) + 1,3-difluoro-5-(methoxymethoxy)benzene (749230-20-4) → 2,6-difluoro-4-hydroxybenzoic acid (214917-68-7)

Guidance literature:

1,3-difluoro-5-(methoxymethoxy)benzene; With n-butyllithium; potassium tert-butylate; In tetrahydrofuran; hexane; at -75 ℃; for 2h;

carbon dioxide; In tetrahydrofuran; hexane;

With hydrogenchloride;

DOI:10.1055/s-2004-829110

upstream raw materials:

2,4,6-trifluorobenzoic acid

carbon dioxide

1,3-difluoro-5-(methoxymethoxy)benzene

3,5-difluorophenol

Downstream raw materials:

4-butoxy-2,6-difluorobenzoic acid

4-ethoxy-2,6-difluorobenzoic acid

C₁₂H₁₄F₂O₃

C₁₀H₁₀F₂O₃