6-Methoxy-3-(methoxycarbonyl)-2-(4-nitrophenyl)-4H-benzopyran-4-one

Base Information

Chemical Name:6-Methoxy-3-(methoxycarbonyl)-2-(4-nitrophenyl)-4H-benzopyran-4-one
CAS No.:132018-13-4
Molecular Formula:C18H13NO7
Molecular Weight:355.304
Hs Code.:
ChEMBL ID:CHEMBL166682
DSSTox Substance ID:DTXSID10407480
Nikkaji Number:J376.212B
Wikidata:Q82212750
Mol file:132018-13-4.mol

Synonyms:132018-13-4;6-METHOXY-3-(METHOXYCARBONYL)-2-(4-NITROPHENYL)-4H-BENZOPYRAN-4-ONE;methyl 6-methoxy-2-(4-nitrophenyl)-4-oxochromene-3-carboxylate;CHEMBL166682;4H-1-Benzopyran-3-carboxylic acid, 6-methoxy-2-(4-nitrophenyl)-4-oxo-, methyl ester;methyl 6-methoxy-2-(4-nitrophenyl)-4-oxo-4H-chromene-3-carboxylate;DTXSID10407480;BDBM50011419;AKOS027446948;FT-0671249;6-Methoxy-2-(4-nitro-phenyl)-4-oxo-4H-chromene-3-carboxylic acid methyl ester

Suppliers and Price of 6-Methoxy-3-(methoxycarbonyl)-2-(4-nitrophenyl)-4H-benzopyran-4-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
6-Methoxy-3-(methoxycarbonyl)-2-(4-nitrophenyl)-4H-benzopyran-4-one
500mg
$ 525.00

Medical Isotopes, Inc.
6-Methoxy-3-(methoxycarbonyl)-2-(4-nitrophenyl)-4H-benzopyran-4-one
100 mg
$ 810.00

American Custom Chemicals Corporation
6-METHOXY-3-(METHOXYCARBONYL)-2-(4-NITROPHENYL)-4H-BENZOPYRAN-4-ONE 95.00%
1G
$ 1593.90

American Custom Chemicals Corporation
6-METHOXY-3-(METHOXYCARBONYL)-2-(4-NITROPHENYL)-4H-BENZOPYRAN-4-ONE 95.00%
100MG
$ 704.55

Total 2 raw suppliers

Chemical Property of 6-Methoxy-3-(methoxycarbonyl)-2-(4-nitrophenyl)-4H-benzopyran-4-one

Chemical Property:

Vapor Pressure:6.21E-12mmHg at 25°C
Melting Point:185-188°C
Refractive Index:1.622
Boiling Point:544.9°C at 760 mmHg
Flash Point:234.5°C
PSA：111.56000
Density:1.417g/cm³
LogP:3.68660
XLogP3:3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:355.06920175
Heavy Atom Count:26
Complexity:616

Purity/Quality:

97% ^*data from raw suppliers

6-Methoxy-3-(methoxycarbonyl)-2-(4-nitrophenyl)-4H-benzopyran-4-one ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=CC2=C(C=C1)OC(=C(C2=O)C(=O)OC)C3=CC=C(C=C3)[N+](=O)[O-]
Uses 6-Methoxy-3-(methoxycarbonyl)-2-(4-nitrophenyl)-4H-benzopyran-4-one ia a useful synthetic intermediate in the preparation of flavinoids

Technology Process of 6-Methoxy-3-(methoxycarbonyl)-2-(4-nitrophenyl)-4H-benzopyran-4-one

There total 2 articles about 6-Methoxy-3-(methoxycarbonyl)-2-(4-nitrophenyl)-4H-benzopyran-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:

: 705-15-7
1-(2-hydroxy-5-methoxyphenyl)ethan-1-one

: 132018-13-4
6-methoxy-3-(methoxycarbonyl)-2-(4-nitrophenyl)-4H-benzopyran-4-one

Guidance literature:: Multi-step reaction with 2 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 to 6 h, 2.) benzene, reflux, 8 h

With tetrachloromethane; magnesium; lithium hexamethyldisilazane;
DOI:10.1021/jm00106a047

Reference yield:

: 132017-99-3
methyl 3-(2-hydroxy-5-methoxyphenyl)-3-oxopropanoate

: 122-04-3
4-nitro-benzoyl chloride

: 132018-13-4
6-methoxy-3-(methoxycarbonyl)-2-(4-nitrophenyl)-4H-benzopyran-4-one

Guidance literature:: With tetrachloromethane; magnesium; Yield given. Multistep reaction; 1.) ethanol, 50 to 55 deg C, 5 to 6 h, 2.) benzene, reflux, 8 h;
DOI:10.1021/jm00106a047