4,5,7-Trimethyl-2H-chromen-2-one

Base Information

Chemical Name:4,5,7-Trimethyl-2H-chromen-2-one
CAS No.:14002-91-6
Molecular Formula:C₁₂H₁₂O₂
Molecular Weight:188.226
Hs Code.:
DSSTox Substance ID:DTXSID90345477
Nikkaji Number:J1.894.429D
Wikidata:Q82118008
ChEMBL ID:CHEMBL2259699
Mol file:14002-91-6.mol

Synonyms:4,5,7-Trimethyl-2H-chromen-2-one;14002-91-6;4,5,7-TRIMETHYLCOUMARIN;4,5,7-trimethylchromen-2-one;2H-1-Benzopyran-2-one,4,5,7-trimethyl-;Coumarin, 4,5,7-trimethyl-;CHEMBL2259699;SCHEMBL18096558;DTXSID90345477;AKOS006276557;4,5,7-Trimethyl-2H-chromen-2-one #;CS-0205377;AR-683/43306448

Suppliers and Price of 4,5,7-Trimethyl-2H-chromen-2-one

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

TRC
4,5,7-Trimethylcoumarin
50mg
$ 60.00

TRC
4,5,7-Trimethylcoumarin
25mg
$ 45.00

American Custom Chemicals Corporation
4,5,7-TRIMETHYLCOUMARIN 95.00%
1G
$ 893.36

Total 10 raw suppliers

Chemical Property of 4,5,7-Trimethyl-2H-chromen-2-one

Chemical Property:

Melting Point:177-178 °C(Solv: hexane (110-54-3); ethyl acetate (141-78-6))
Boiling Point:333.0±31.0 °C(Predicted)
PSA：30.21000
Density:1.122±0.06 g/cm3(Predicted)
LogP:2.71820
XLogP3:2.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:188.083729621
Heavy Atom Count:14
Complexity:280

Purity/Quality:

98%min ^*data from raw suppliers

4,5,7-Trimethylcoumarin ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn
Hazard Codes:Xn
Statements: 20/21/22
Safety Statements: 36

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC(=C2C(=CC(=O)OC2=C1)C)C

Technology Process of 4,5,7-Trimethyl-2H-chromen-2-one

There total 22 articles about 4,5,7-Trimethyl-2H-chromen-2-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: 97.7%

: 105508-80-3
3-Hydroxy-3-(2-methoxymethoxy-4,6-dimethyl-phenyl)-butyric acid tert-butyl ester

: 14002-91-6
4,5,7-trimethylcoumarin

Guidance literature:: With hydrogenchloride; In methanol; for 0.166667h; 80 deg C bath temperature;
DOI:10.1016/S0040-4039(00)99031-2

Reference yield: 92.0%

: 105-45-3
acetoacetic acid methyl ester

: 108-68-9,50356-23-5
3,5-Dimethylphenol

: 14002-91-6
4,5,7-trimethylcoumarin

Guidance literature:: With Fe₃O₄-SiO₂-HMTA nanomaterial; In neat (no solvent); at 100 ℃; for 0.25h; Green chemistry;
DOI:10.1007/s13738-015-0652-6

Reference yield: 91.0%

: 141-97-9
ethyl acetoacetate

: 108-68-9,50356-23-5
3,5-Dimethylphenol

: 14002-91-6
4,5,7-trimethylcoumarin

Guidance literature:: With 1,3-disulfonic acid imidazolium hydrogen sulfate; at 75 ℃; for 0.333333h; Green chemistry;
DOI:10.1007/s11164-014-1733-3