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

Base Information

• Chemical Name: 5-Bromo-2-hydroxy-3-(trifluoromethyl)benzaldehyde
• CAS No.: 251300-30-8
• Molecular Formula: C8H4BrF3O2
• Molecular Weight: 269.018
• Hs Code.: 2913000090
• European Community (EC) Number: 639-363-0
• DSSTox Substance ID: DTXSID60381362
• Nikkaji Number: J1.221.558D
• Wikidata: Q82172151
• Mol file: 251300-30-8.mol

Synonyms:5-bromo-2-hydroxy-3-(trifluoromethyl)benzaldehyde;251300-30-8;5-Bromo-3-formyl-2-hydroxybenzotrifluoride;SCHEMBL10323583;DTXSID60381362;BKA30030;MFCD03788531;AKOS016005195;PS-7293;5-bromo-2-hydroxy-3-trifluoromethylbenzaldehyde;2-Hydroxy-3-(trifluoromethyl)-5-bromobenzaldehyde;A817662;J-015826

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

Chemical Property:

• PSA: 37.30000
• LogP: 2.98600
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 267.93468
• Heavy Atom Count: 14
• Complexity: 219

Purity/Quality:

99%, ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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

There total 6 articles about 5-Bromo-2-hydroxy-3-(trifluoromethyl)benzaldehyde 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: 53.75%

4-bromo-2-(trifluoromethyl)phenol (50824-04-9) + hexamethylenetetramine (100-97-0) → 5-bromo-2-hydroxy-3-(trifluoromethyl)benzaldehyde (251300-30-8)

Guidance literature:

4-bromo-2-(trifluoromethyl)phenol; hexamethylenetetramine; With trifluoroacetic acid; at 90 ℃;

With sulfuric acid; In water; for 1h;

Reference yield:

2-hydroxy-3-(trifluoromethyl)benzaldehyde (336628-67-2) → 5-bromo-2-hydroxy-3-(trifluoromethyl)benzaldehyde (251300-30-8)

Guidance literature:

With N-Bromosuccinimide; In acetonitrile; at 0 ℃; for 1h;

Reference yield:

2-(trifluoromethyl)phenol (444-30-4) → 5-bromo-2-hydroxy-3-(trifluoromethyl)benzaldehyde (251300-30-8)

Guidance literature:

Multi-step reaction with 2 steps

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

2: trifluoroacetic acid / 18 h / 90 °C

With bromine; In trifluoroacetic acid; 1: Bromination / 2: Formylation;

DOI:10.1055/s-1999-3607

upstream raw materials:

4-bromo-2-(trifluoromethyl)phenol

hexamethylenetetramine

2-(trifluoromethyl)phenol

2-hydroxy-3-(trifluoromethyl)benzaldehyde

Downstream raw materials:

5-Bromo-3-(trifluoromethyl)salicylic acid

2-hydroxy-3-(trifluoromethyl)benzoic acid

5-bromo-2-methoxy-3-trifluoromethylbenzaldehyde

3-(3-cyano-4-hydroxy-5-trifluoromethylbenzoyl)-1,1-dioxo-1,2-dihydro-3H-1,3-benzothiazole

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