4-oxo-2-(3,4,5-trimethoxyphenyl)-4H-chromene-3-carboxylic acid

Base Information

Chemical Name:4-oxo-2-(3,4,5-trimethoxyphenyl)-4H-chromene-3-carboxylic acid
CAS No.:119563-94-9
Molecular Formula:C19H16O7
Molecular Weight:356.332
Hs Code.:
ChEMBL ID:CHEMBL167940
DSSTox Substance ID:DTXSID70558740
Nikkaji Number:J376.214I
Wikidata:Q82441141
Mol file:119563-94-9.mol

Synonyms:119563-94-9;CHEMBL167940;4-oxo-2-(3,4,5-trimethoxyphenyl)-4H-chromene-3-carboxylic acid;3',4',5'-trimethoxyflavone-3-carboxylic acid;SCHEMBL9527742;DTXSID70558740;YCSNHAFEDLDNJW-UHFFFAOYSA-N;4-Oxo-2-(3,4,5-trimethoxyphenyl)-4H-1-benzopyran-3-carboxylic acid;BDBM50011430;3',4',5'-trimethoxy-flavone-3-carboxylic acid;4-Oxo-2-(3,4,5-trimethoxy-phenyl)-4H-chromene-3-carboxylic acid

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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 4-oxo-2-(3,4,5-trimethoxyphenyl)-4H-chromene-3-carboxylic acid

Chemical Property:

XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:356.08960285
Heavy Atom Count:26
Complexity:570

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC1=CC(=CC(=C1OC)OC)C2=C(C(=O)C3=CC=CC=C3O2)C(=O)O

Technology Process of 4-oxo-2-(3,4,5-trimethoxyphenyl)-4H-chromene-3-carboxylic acid

There total 4 articles about 4-oxo-2-(3,4,5-trimethoxyphenyl)-4H-chromene-3-carboxylic acid 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: 95.0%

: 132018-03-2
3-(methoxycarbonyl)-2-(3,4,5-trimethoxyphenyl)-4H-benzopyran-4-one

: 119563-94-9
2-(3,4,5-trimethoxyphenyl)-4-oxo-4H-benzopyran-3-carboxylic acid

Guidance literature:: With boron tribromide-dimethyl sulfide complex; In dichloromethane; for 4h; Ambient temperature;
DOI:10.1021/jm00106a047

Reference yield:

: 20349-86-4
Methyl 3-(2-hydroxy-phenyl)-3-oxopropanoate

: 119563-94-9
2-(3,4,5-trimethoxyphenyl)-4-oxo-4H-benzopyran-3-carboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) Mg, CCl₄ / 1.) ethanol, 50 to 55 deg C, 5 h, 2.) benzene, reflux, 6 h

2: 95 percent / 1 M dimethyl sulfide-tribromoborane / CH₂Cl₂ / 4 h / Ambient temperature

With tetrachloromethane; boron tribromide-dimethyl sulfide complex; magnesium; In dichloromethane;
DOI:10.1021/jm00106a047

Reference yield:

: 118-93-4,104809-67-8
o-hydroxyacetophenone

: 119563-94-9
2-(3,4,5-trimethoxyphenyl)-4-oxo-4H-benzopyran-3-carboxylic acid

Guidance literature:: Multi-step reaction with 3 steps

1: 1.) lithium bis(trimethylsilyl)amide / 1.) a.) THF, -78 deg C, b.) -10 deg C, 2 h, 2.) a.) from -78 deg C to 25 deg C, 3-4 h, b.) RT, 4 h

2: 1.) Mg, CCl₄ / 1.) ethanol, 50 to 55 deg C, 5 h, 2.) benzene, reflux, 6 h

3: 95 percent / 1 M dimethyl sulfide-tribromoborane / CH₂Cl₂ / 4 h / Ambient temperature

With tetrachloromethane; boron tribromide-dimethyl sulfide complex; magnesium; lithium hexamethyldisilazane; In dichloromethane;
DOI:10.1021/jm00106a047