7-Hydroxy-3-methyl-4-phenylcoumarin

Base Information

Chemical Name:7-Hydroxy-3-methyl-4-phenylcoumarin
CAS No.:54431-13-9
Molecular Formula:C16H12 O3
Molecular Weight:252.26
Hs Code.:2932209090
European Community (EC) Number:624-114-0
DSSTox Substance ID:DTXSID30420590
Wikidata:Q82231887
Mol file:54431-13-9.mol

Synonyms:7-Hydroxy-3-methyl-4-phenylcoumarin;54431-13-9;7-Hydroxy-3-methyl-4-phenyl-2H-chromen-2-one;7-hydroxy-3-methyl-4-phenylchromen-2-one;3-methyl-7-oxidanyl-4-phenyl-chromen-2-one;DTXSID30420590;AKOS015914514;7-Hydroxy-3-methyl-4-phenylcoumarin, 98%;FT-0657817;7-hydroxy-3-methyl-4-phenyl-1-benzopyran-2-one;7-HYDROXY-3-METHYL-4-PHENYLCOUMARIN 98;A830176

Suppliers and Price of 7-Hydroxy-3-methyl-4-phenylcoumarin

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
7-HYDROXY-3-METHYL-4-PHENYLCOUMARIN 95.00%
1G
$ 949.24

Total 11 raw suppliers

Chemical Property of 7-Hydroxy-3-methyl-4-phenylcoumarin

Chemical Property:

Vapor Pressure:4.54E-09mmHg at 25°C
Melting Point:223-228 °C(lit.)
Boiling Point:459.7°C at 760 mmHg
PKA:7.91±0.20(Predicted)
Flash Point:200.6°C
PSA：50.44000
Density:1.289g/cm³
LogP:3.47400
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:252.078644241
Heavy Atom Count:19
Complexity:393

Purity/Quality:

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

7-HYDROXY-3-METHYL-4-PHENYLCOUMARIN 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn,Xi
Hazard Codes:Xn,Xi
Statements: 22-36/37/38
Safety Statements: 26-36

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C2=C(C=C(C=C2)O)OC1=O)C3=CC=CC=C3

Technology Process of 7-Hydroxy-3-methyl-4-phenylcoumarin

There total 2 articles about 7-Hydroxy-3-methyl-4-phenylcoumarin 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: 80.0%

: 108-46-3
recorcinol

: 10488-87-6
ethyl 2-benzoylpropionate

: 54431-13-9
7-hydroxy-3-methyl-4-phenyl-2H-chromen-2-one

Guidance literature:: With sulfuric acid; trifluoroacetic acid; at 20 ℃; for 4h;
DOI:10.1021/jm049535j

Reference yield:

: 54431-13-9
7-hydroxy-3-methyl-4-phenyl-2H-chromen-2-one

Guidance literature:: 7-Propoxy-3-methyl-4-phenyl-cumarin, HCl;

Reference yield: 83.0%

: 54431-13-9
7-hydroxy-3-methyl-4-phenyl-2H-chromen-2-one

: 74-88-4
methyl iodide

: 22321-96-6
7-methoxy-3-methyl-4-phenyl-2H-chromen-2-one

Guidance literature:: 7-hydroxy-3-methyl-4-phenyl-2H-chromen-2-one; With sodium hydride; In N,N-dimethyl-formamide; at 0 ℃; for 0.333333h;

methyl iodide; With sodium hydride; In N,N-dimethyl-formamide; at 0 - 20 ℃; for 5h;
DOI:10.1021/jm049535j