6-Fluoro-2,3-dihydroxybenzoic acid

Base Information

• Chemical Name: 6-Fluoro-2,3-dihydroxybenzoic acid
• CAS No.: 492444-05-0
• Molecular Formula: C7H5 F O4
• Molecular Weight: 172.11100
• European Community (EC) Number: 825-213-3
• DSSTox Substance ID: DTXSID80591906
• Wikidata: Q72479746
• Mol file: 492444-05-0.mol

Synonyms:6-FLUORO-2,3-DIHYDROXYBENZOIC ACID;492444-05-0;6-Fluoro-2,3-dihydroxybenzoicacid;Benzoicacid, 6-fluoro-2,3-dihydroxy-;SCHEMBL186132;DTXSID80591906;MFCD09038124;AKOS006330776;AC-27547;AS-53713;DB-350421;EN300-173852;P16935;Z1198184434

Chemical Property of 6-Fluoro-2,3-dihydroxybenzoic acid

Chemical Property:

• Boiling Point: 377℃
• Flash Point: 182℃
• PSA: 77.76000
• Density: 1.670
• LogP: 0.93510
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 172.01718680
• Heavy Atom Count: 12
• Complexity: 184

Purity/Quality:

98%Min ^*data from raw suppliers

6-fluoro-2,3-dihydroxybenzoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 6-Fluoro-2,3-dihydroxybenzoic acid

There total 2 articles about 6-Fluoro-2,3-dihydroxybenzoic 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%

6-fluoro-2,3-dimethoxybenzoic acid (265670-72-2) → 6-fluoro-2,3-dihydroxybenzoic acid (492444-05-0)

Guidance literature:

With hydrogen bromide; acetic acid; In water; for 1h; Heating;

DOI:10.1021/jm030317k

Reference yield:

4-fluoroveratrole (398-62-9) → 6-fluoro-2,3-dihydroxybenzoic acid (492444-05-0)

Guidance literature:

Multi-step reaction with 2 steps

1.1: LDA / tetrahydrofuran; hexane / 1 h / -60 °C

1.2: 64 percent / tetrahydrofuran; hexane / 0.5 h / -60 °C

2.1: 100 percent / HBr; AcOH / H₂O / 1 h / Heating

With hydrogen bromide; acetic acid; lithium diisopropyl amide; In tetrahydrofuran; hexane; water;

DOI:10.1021/jm030317k

Reference yield: 60.0%

methanol (67-56-1) + 6-fluoro-2,3-dihydroxybenzoic acid (492444-05-0) → methyl 6-fluoro-2,3-dihydroxybenzoate (492444-06-1)

Guidance literature:

With thionyl chloride; at 70 ℃; for 18h;

DOI:10.1021/jm030317k

upstream raw materials:

6-fluoro-2,3-dimethoxybenzoic acid

4-fluoroveratrole

Downstream raw materials:

methyl 6-fluoro-2,3-dihydroxybenzoate

5-fluoro-1,3-benzodioxol-4-amine

5-fluoro-1,3-benzodioxole-4-carboxylic acid

tert-butyl (5-fluoro-1,3-benzodioxol-4-yl)carbamate

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