3-Hydroxy-2-(4-methoxyphenyl)-6-methyl-4H-chromen-4-one

Base Information

• Chemical Name: 3-Hydroxy-2-(4-methoxyphenyl)-6-methyl-4H-chromen-4-one
• CAS No.: 6971-17-1
• Molecular Formula: C17H14O4
• Molecular Weight: 282.296
• NSC Number: 19024
• UNII: LZ9L8A7HG0
• DSSTox Substance ID: DTXSID60219999
• Nikkaji Number: J435.668C
• Wikidata: Q83097064
• Metabolomics Workbench ID: 74608
• ChEMBL ID: CHEMBL75588
• Mol file: 6971-17-1.mol

Synonyms:3-Hydroxy-2-(4-methoxyphenyl)-6-methyl-4H-chromen-4-one;6971-17-1;NSC19024;4'-Methoxy-6-methylflavonol;3-hydroxy-4'-methoxy-6-methylflavone;NSC 19024;NSC-19024;LZ9L8A7HG0;FLAVONE, 3-HYDROXY-4'-METHOXY-6-METHYL-;4H-1-Benzopyran-4-one, 3-hydroxy-2-(4-methoxyphenyl)-6-methyl-;UNII-LZ9L8A7HG0;CHEMBL75588;SCHEMBL4648920;DTXSID60219999;XBEINZKGCYZUQJ-UHFFFAOYSA-N;AKOS001679436;CCG-120306;Flavone 3-hydroxy-4'-methoxy-6-methyl-;NCI60_001584;SR-01000115459;SR-01000115459-1;3-hydroxy-2-(4-methoxyphenyl)-6-methyl-chromen-4-one;3-HYDROXY-2-(4-METHOXYPHENYL)-6-METHYL-4H-1-BENZOPYRAN-4-ONE

Chemical Property of 3-Hydroxy-2-(4-methoxyphenyl)-6-methyl-4H-chromen-4-one

Chemical Property:

• Vapor Pressure: 5.49E-09mmHg at 25°C
• Boiling Point: 452.8°Cat760mmHg
• Flash Point: 168.4°C
• Density: 1.315g/cm³
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 282.08920892
• Heavy Atom Count: 21
• Complexity: 434

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1)OC(=C(C2=O)O)C3=CC=C(C=C3)OC

Technology Process of 3-Hydroxy-2-(4-methoxyphenyl)-6-methyl-4H-chromen-4-one

There total 14 articles about 3-Hydroxy-2-(4-methoxyphenyl)-6-methyl-4H-chromen-4-one 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%

1a,7a-Dihydro-5-methyl-1a-(4-methoxyphenyl)-7H-oxireno<1>benzopyran-7-one (136764-53-9) → 3-hydroxy-2-(4-methoxy-phenyl)-6-methyl-chromen-4-one (6971-17-1)

Guidance literature:

In chloroform-d1; for 12h; Ambient temperature;

DOI:10.1021/jo00026a020

Reference yield: 82.0%

6-methyl-3-hydroxychromone (73484-69-2) + 4-methoxyphenylhydrazine hydrochloride (19501-58-7) → 3-hydroxy-2-(4-methoxy-phenyl)-6-methyl-chromen-4-one (6971-17-1)

Guidance literature:

With air; In diethylamine; acetonitrile; at 20 ℃; for 4h;

DOI:10.1039/c7ob01929g

Reference yield:

2'-hydroxy-4-methoxy-5'-methylchalcone (16635-13-5) → 3-hydroxy-2-(4-methoxy-phenyl)-6-methyl-chromen-4-one (6971-17-1)

Guidance literature:

With dihydrogen peroxide; potassium hydroxide; In ethanol; water; at 0 ℃; for 3h;

DOI:10.1007/s10895-015-1623-0

upstream raw materials:

(E)-1-(2-hydroxy-5-methylphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one

1-(2-acetoxy-5-methyl-phenyl)-2,3-dibromo-3-(4-methoxy-phenyl)-propan-1-one

2-chloroacetyl-4-methylphenol

4-methoxy-benzaldehyde

Downstream raw materials:

3-acetoxy-2-(4-methoxy-phenyl)-6-methyl-chromen-4-one

3-benzoyloxy-2-(4-methoxy-phenyl)-6-methyl-chromen-4-one

3-methoxy-2-(4-methoxy-phenyl)-6-methyl-chromen-4-one

(+/-)-2r-(4-Methoxy-phenyl)-6-methyl-chroman-3c,4c-diol