3,4-dimethyl-7-(2-oxo-2-phenylethoxy)-2H-chromen-2-one

Base Information

Chemical Name:3,4-dimethyl-7-(2-oxo-2-phenylethoxy)-2H-chromen-2-one
CAS No.:314742-04-6
Molecular Formula:C₁₉H₁₆O₄
Molecular Weight:308.334
Hs Code.:
DSSTox Substance ID:DTXSID101188044
ChEMBL ID:CHEMBL1596218

Synonyms:314742-04-6;3,4-dimethyl-7-(2-oxo-2-phenylethoxy)-2H-chromen-2-one;2H-1-Benzopyran-2-one, 3,4-dimethyl-7-(2-oxo-2-phenylethoxy)-;Oprea1_533556;MLS001173277;CHEMBL1596218;DTXSID101188044;HMS2866A14;STK716718;AKOS005533411;SMR000539061;3,4-Dimethyl-7-(2-oxo-2-phenylethoxy)-2H-1-benzopyran-2-one

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

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Chemical Property of 3,4-dimethyl-7-(2-oxo-2-phenylethoxy)-2H-chromen-2-one

Chemical Property:

XLogP3:3.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:308.10485899
Heavy Atom Count:23
Complexity:502

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)C3=CC=CC=C3)C

Technology Process of 3,4-dimethyl-7-(2-oxo-2-phenylethoxy)-2H-chromen-2-one

There total 1 articles about 3,4-dimethyl-7-(2-oxo-2-phenylethoxy)-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: 51.0%

: 2107-78-0
3,4-dimethyl-7-hydroxycoumarin

: 70-11-1
α-bromoacetophenone

: 314742-04-6
3,4-dimethyl-7-(2-oxo-2-phenyl-ethoxy)-chromen-2-one

Guidance literature:: With potassium carbonate; at 120 ℃; for 3h;
DOI:10.1016/j.bmc.2005.06.043

Reference yield:

: 314742-04-6
3,4-dimethyl-7-(2-oxo-2-phenyl-ethoxy)-chromen-2-one

: 7-(2-hydroxy-2-phenyl-ethoxy)-3,4-dimethyl-chromen-2-one

Guidance literature:: With lithium aluminium tetrahydride; In tetrahydrofuran; at 40 ℃; for 2h;
DOI:10.1021/jm060183l

Reference yield:

: 314742-04-6
3,4-dimethyl-7-(2-oxo-2-phenyl-ethoxy)-chromen-2-one

: (+)-7-(2-hydroxy-2-phenylethoxy)-3,4-dimethyl-2H-chromen-2-one

Guidance literature:: Multi-step reaction with 2 steps

1: lithium aluminum anhydride / tetrahydrofuran / 2 h / 40 °C

2: Chiracel OD HPLC column

With lithium aluminium tetrahydride; In tetrahydrofuran;
DOI:10.1021/jm060183l