6-Aminoflavone

Base Information

• Chemical Name: 6-Aminoflavone
• CAS No.: 4613-53-0
• Molecular Formula: C₁₅H₁₁NO₂
• Molecular Weight: 237.258
• European Community (EC) Number: 624-459-7
• ChEMBL ID: CHEMBL1215529
• DSSTox Substance ID: DTXSID00584330
• Metabolomics Workbench ID: 155626
• Nikkaji Number: J2.946.795A
• Wikidata: Q82475975
• Mol file: 4613-53-0.mol

Synonyms:6-Aminoflavone;4613-53-0;6-amino-2-phenyl-4H-chromen-4-one;6-amino-2-phenylchromen-4-one;6-Aminoflavone 97;6-Aminoflavone, 97%;SCHEMBL926716;CHEMBL1215529;6-amino-2-phenyl-chromen-4-one;DTXSID00584330;YWHKBWPNCFDUPQ-UHFFFAOYSA-N;MFCD05664254;AKOS002292628;BS-28729;6-Amino-2-phenyl-4H-1-benzopyran-4-one;CS-0204306;F2211-0001

Chemical Property of 6-Aminoflavone

Chemical Property:

• Vapor Pressure: 2.4E-08mmHg at 25°C
• Melting Point: 196-200 °C (lit.)
• Boiling Point: 451.6±45.0 °C(Predicted)
• PKA: 3.26±0.40(Predicted)
• Density: 1.306±0.06 g/cm3(Predicted)
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 237.078978594
• Heavy Atom Count: 18
• Complexity: 358

Purity/Quality:

98%,99%, ^*data from raw suppliers

6-Aminoflavone 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=CC(=C3)N

Technology Process of 6-Aminoflavone

There total 21 articles about 6-Aminoflavone 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%

N-(4-oxo-2-phenyl-4H-chromen-6-yl)acetamide (18467-10-2) → 6-amino-2-phenyl-4H-1-benzopyran-4-one (4613-53-0)

Guidance literature:

With sulfuric acid; In ethanol; for 0.5h; Microwave irradiation;

DOI:10.1002/mrc.2638

Reference yield: 88.0%

5'-amino-2-hydroxyacetophenone + benzaldehyde (100-52-7) → 6-amino-2-phenyl-4H-1-benzopyran-4-one (4613-53-0)

Guidance literature:

With bis(1-butyl-3-methylimidazolium) tungstate; oxygen; In hexan-1-ol; at 80 ℃; for 4h; under 3750.38 Torr;

Reference yield: 81.0%

6-(benzhydrylidene-amino)-2-phenyl-chromen-4-one → 6-amino-2-phenyl-4H-1-benzopyran-4-one (4613-53-0)

Guidance literature:

With trifluoroacetic acid; In tetrahydrofuran; at 0 - 20 ℃; for 2h;

DOI:10.1007/s11030-020-10079-1

upstream raw materials:

N-(4-oxo-2-phenyl-4H-chromen-6-yl)acetamide

1-phenyl-3-(2'-hydroxy-5'-acetamidophenyl)-1,3-propanedione

5-acetamido-2-hydroxyacetophenone

5′-acetamino-2′-hydroxychalcone

Downstream raw materials:

6-diacetylamino-2-phenyl-chromen-4-one

1-(4-Methoxy-benzoyl)-3-(4-oxo-2-phenyl-4H-chromen-6-yl)-thiourea

1-(4-Methyl-benzoyl)-3-(4-oxo-2-phenyl-4H-chromen-6-yl)-thiourea

N-benzoyl-N'-(2-phenyl-4-oxo-4H-<1>benzopyran-6-yl)thiourea