5-(3-(5-Bromo-2,4-dihydroxyphenyl)-3-oxo-1-propenyl)-2-hydroxybenzoic acid

Base Information

• Chemical Name: 5-(3-(5-Bromo-2,4-dihydroxyphenyl)-3-oxo-1-propenyl)-2-hydroxybenzoic acid
• CAS No.: 78050-56-3
• Molecular Formula: C16H11BrO6
• Molecular Weight: 379.1589
• Wikidata: Q76326958

Synonyms:BRN 4531262;5-(3-(5-Bromo-2,4-dihydroxyphenyl)-3-oxo-1-propenyl)-2-hydroxybenzoic acid;78050-56-3;BENZOIC ACID, 5-(3-(5-BROMO-2,4-DIHYDROXYPHENYL)-3-OXO-1-PROPENYL)-2-HYDROXY-

Chemical Property of 5-(3-(5-Bromo-2,4-dihydroxyphenyl)-3-oxo-1-propenyl)-2-hydroxybenzoic acid

Chemical Property:

• Vapor Pressure: 1.7E-16mmHg at 25°C
• Boiling Point: 625.2°Cat760mmHg
• Flash Point: 331.9°C
• Density: 1.773g/cm³
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 377.97390
• Heavy Atom Count: 23
• Complexity: 479

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C=CC(=O)C2=CC(=C(C=C2O)O)Br)C(=O)O)O
• Isomeric SMILES: C1=CC(=C(C=C1/C=C/C(=O)C2=CC(=C(C=C2O)O)Br)C(=O)O)O

Technology Process of 5-(3-(5-Bromo-2,4-dihydroxyphenyl)-3-oxo-1-propenyl)-2-hydroxybenzoic acid

There total 1 articles about 5-(3-(5-Bromo-2,4-dihydroxyphenyl)-3-oxo-1-propenyl)-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: 75.0%

5'-bromo-2',4'-dihydroxyacetophenone (60965-25-5) + 2-hydroxy-5-formylbenzoic acid (616-76-2) → 5-[(E)-3-(5-Bromo-2,4-dihydroxy-phenyl)-3-oxo-propenyl]-2-hydroxy-benzoic acid (78050-56-3)

Guidance literature:

With sodium hydroxide; In ethanol; water; Ambient temperature;

DOI:10.1007/BF00507237

Reference yield: 45.0%

5-[(E)-3-(5-Bromo-2,4-dihydroxy-phenyl)-3-oxo-propenyl]-2-hydroxy-benzoic acid (78050-56-3) + orthoformic acid triethyl ester (122-51-0) → 6-Bromo-2-(3-carboxy-4-hydroxy-phenyl)-4-ethoxy-7-hydroxy-chromenylium; perchlorate

Guidance literature:

With perchloric acid; for 0.25h; Heating;

DOI:10.1007/BF00507237

upstream raw materials:

5'-bromo-2',4'-dihydroxyacetophenone

2-hydroxy-5-formylbenzoic acid

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