5-Bromo-2-hydroxy-3-(trifluoromethyl)benzoic acid

Base Information

• Chemical Name: 5-Bromo-2-hydroxy-3-(trifluoromethyl)benzoic acid
• CAS No.: 251300-31-9
• Molecular Formula: C₈H₄BrF₃O₃
• Molecular Weight: 285.017
• Hs Code.: 2918290090
• DSSTox Substance ID: DTXSID801231355
• Nikkaji Number: J1.221.559B
• Mol file: 251300-31-9.mol

Synonyms:5-Bromo-2-hydroxy-3-(trifluoromethyl)benzoic acid;251300-31-9;5-Bromo-3-(trifluoromethyl)salicylic acid, 5-Bromo-3-carboxy-2-hydroxybenzotrifluoride;DTXSID801231355;BKA30031;MFCD06203616;AKOS027366376;PS-11272;5-Bromo-2-hydroxy-3-(trifluoromethyl)benzoicacid;5-Bromo-2-hydroxy-3-(trifluoromethyl)benzoic acid 97%

Chemical Property of 5-Bromo-2-hydroxy-3-(trifluoromethyl)benzoic acid

Chemical Property:

• XLogP3: 3.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 283.92959
• Heavy Atom Count: 15
• Complexity: 256

Purity/Quality:

5-Bromo-2-hydroxy-3-(trifluoromethyl)benzoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

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

Technology Process of 5-Bromo-2-hydroxy-3-(trifluoromethyl)benzoic acid

There total 3 articles about 5-Bromo-2-hydroxy-3-(trifluoromethyl)benzoic 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: 87.0%

5-bromo-2-hydroxy-3-(trifluoromethyl)benzaldehyde (251300-30-8) → 5-Bromo-3-(trifluoromethyl)salicylic acid (251300-31-9)

Guidance literature:

With sodium chlorite; aminosulfonic acid; In 1,4-dioxane; water; for 0.5h;

DOI:10.1055/s-1999-3607

Reference yield:

2-(trifluoromethyl)phenol (444-30-4) → 5-Bromo-3-(trifluoromethyl)salicylic acid (251300-31-9)

Guidance literature:

Multi-step reaction with 3 steps

1: Br₂ / trifluoroacetic acid / 18 h / 20 °C

2: trifluoroacetic acid / 18 h / 90 °C

3: 87 percent / NaClO₂; H₂NSO₃H; NaHPO₄*H₂O / H₂O; dioxane / 0.5 h

With sodium chlorite; aminosulfonic acid; bromine; In 1,4-dioxane; water; trifluoroacetic acid; 1: Bromination / 2: Formylation / 3: Oxidation;

DOI:10.1055/s-1999-3607

Reference yield:

4-bromo-2-(trifluoromethyl)phenol (50824-04-9) → 5-Bromo-3-(trifluoromethyl)salicylic acid (251300-31-9)

Guidance literature:

Multi-step reaction with 2 steps

1: trifluoroacetic acid / 18 h / 90 °C

2: 87 percent / NaClO₂; H₂NSO₃H; NaHPO₄*H₂O / H₂O; dioxane / 0.5 h

With sodium chlorite; aminosulfonic acid; In 1,4-dioxane; water; trifluoroacetic acid; 1: Formylation / 2: Oxidation;

DOI:10.1055/s-1999-3607

upstream raw materials:

5-bromo-2-hydroxy-3-(trifluoromethyl)benzaldehyde

2-(trifluoromethyl)phenol

4-bromo-2-(trifluoromethyl)phenol

Downstream raw materials:

2-hydroxy-3-(trifluoromethyl)benzoic acid

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