Benzoic acid, 2-hydroxy-5-(4-oxo-4H-1-benzopyran-2-yl)-

Base Information

• Chemical Name: Benzoic acid, 2-hydroxy-5-(4-oxo-4H-1-benzopyran-2-yl)-
• CAS No.: 126342-64-1
• Molecular Formula: C₁₆H₁₀O₅
• Molecular Weight: 282.252
• DSSTox Substance ID: DTXSID50155155
• Wikidata: Q83022876
• Mol file: 126342-64-1.mol

Synonyms:BRN 4261234;Benzoic acid, 2-hydroxy-5-(4-oxo-4H-1-benzopyran-2-yl)-;2-Hydroxy-5-(4-oxo-4H-1-benzopyran-2-yl)benzoic acid;126342-64-1;4'-hydroxy-3'-carboxyflavone;DTXSID50155155;LS-37653

Chemical Property of Benzoic acid, 2-hydroxy-5-(4-oxo-4H-1-benzopyran-2-yl)-

Chemical Property:

• Vapor Pressure: 1.74E-11mmHg at 25°C
• Boiling Point: 516.3°Cat760mmHg
• Flash Point: 198.4°C
• Density: 1.483g/cm³
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 282.05282342
• Heavy Atom Count: 21
• Complexity: 469

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)C=C(O2)C3=CC(=C(C=C3)O)C(=O)O

Technology Process of Benzoic acid, 2-hydroxy-5-(4-oxo-4H-1-benzopyran-2-yl)-

There total 3 articles about Benzoic acid, 2-hydroxy-5-(4-oxo-4H-1-benzopyran-2-yl)- 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-(3-Carboxy-4-hydroxy-phenyl)-4-ethoxy-chromenylium; perchlorate → 4'-hydroxy-3'-carboxyflavone (126342-64-1)

Guidance literature:

With N,N-dimethyl-formamide;

DOI:10.1007/BF00764625

Reference yield:

2-hydroxy-5-formylbenzoic acid (616-76-2) → 4'-hydroxy-3'-carboxyflavone (126342-64-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 75 percent / 70percent perchloric acid / 12 h

2: 100 percent / aq. DMF

With perchloric acid; N,N-dimethyl-formamide;

DOI:10.1007/BF00764625

Reference yield:

o-hydroxyacetophenone (118-93-4,104809-67-8) → 4'-hydroxy-3'-carboxyflavone (126342-64-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 75 percent / 70percent perchloric acid / 12 h

2: 100 percent / aq. DMF

With perchloric acid; N,N-dimethyl-formamide;

DOI:10.1007/BF00764625

upstream raw materials:

2-hydroxy-5-formylbenzoic acid

o-hydroxyacetophenone