3-Methyl-2-phenylchromen-4-one

Base Information

• Chemical Name: 3-Methyl-2-phenylchromen-4-one
• CAS No.: 71972-66-2
• Molecular Formula: C16H12 O2
• Molecular Weight: 236.27
• DSSTox Substance ID: DTXSID70222257
• Nikkaji Number: J69.702H
• Wikidata: Q83100451
• ChEMBL ID: CHEMBL2431806
• Mol file: 71972-66-2.mol

Synonyms:71972-66-2;3-methyl-2-phenylchromen-4-one;3-Methylflavone;3-Metilflavone;3-Metilflavone [Italian];BRN 0180009;4h-1-benzopyran-4-one,3-methyl-2-phenyl-;REC 1-0025;4H-1-Benzopyran-4-one,3-methyl-2-phenyl-(9CI);FLAVONE, 3-METHYL-;3-Methyl-2-phenyl-4H-1-benzopyran-4-one;4H-1-Benzopyran-4-one, 3-methyl-2-phenyl-;4H-1-Benzopyran-4-one, 3-methyl-2-phenyl- (9CI);4H-1-Benzopyran-4-one, 3-methyl-2-phenyl-(9CI);methylflavone;Maybridge3_003148;Oprea1_779803;SCHEMBL694139;CHEMBL2431806;DTXSID70222257;Rec-1-0025;HMS1439P02;3-methyl-2-phenyl-4H-chromen-4-one;CCG-239779;IDI1_014535;LS-69026

Chemical Property of 3-Methyl-2-phenylchromen-4-one

Chemical Property:

• Vapor Pressure: 8.2E-06mmHg at 25°C
• Boiling Point: 374.7°C at 760 mmHg
• Flash Point: 170.1°C
• PSA: 30.21000
• Density: 1.197g/cm³
• LogP: 3.76840
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 236.083729621
• Heavy Atom Count: 18
• Complexity: 363

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(OC2=CC=CC=C2C1=O)C3=CC=CC=C3

Technology Process of 3-Methyl-2-phenylchromen-4-one

There total 39 articles about 3-Methyl-2-phenylchromen-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%

1-(2-hydroxy-phenyl)-2-methyl-3-phenyl-propane-1,3-dione (102677-16-7) → 3-methyl-2-phenyl-4H-1-benzopyran-4-one (71972-66-2)

Guidance literature:

With potassium carbonate; In water; for 1h; Time; Temperature; Inert atmosphere; Reflux;

DOI:10.3390/molecules200611418

Reference yield: 90.0%

2-methyl-1-(2-methoxyphenyl)-3-phenylpropane-1,3-dione (82214-87-7) → 3-methyl-2-phenyl-4H-1-benzopyran-4-one (71972-66-2)

Guidance literature:

With C₅H₅*HCl; at 200 ℃; for 5h;

Reference yield: 88.0%

1-Phenylprop-1-yne (673-32-5) + 2-Methoxybenzoyl chloride (21615-34-9) → 3-methyl-2-phenyl-4H-1-benzopyran-4-one (71972-66-2)

Guidance literature:

With aluminum (III) chloride; In dichloromethane; at 0 - 23 ℃; Inert atmosphere;

DOI:10.1021/acs.orglett.6b03348

upstream raw materials:

1-(2-Hydroxy-phenyl)-propan-1-on

2-benzoyloxypropiophenone

benzoic acid anhydride

1-amino-3-methylbutane

Downstream raw materials:

3-methyl-2-phenyl-chromene-4-thione

3-bromomethyl-2-phenyl-4H-chromen-4-one

3-(hydroxymethyl)-2-phenyl-4H-chromen-4-one

3-acetoxymethyl-2-phenyl-4H-chromen-4-one