2-Oxo-5,7-dimethoxy-2H-1-benzopyran-3-carboxylic acid ethyl ester

Base Information

• Chemical Name: 2-Oxo-5,7-dimethoxy-2H-1-benzopyran-3-carboxylic acid ethyl ester
• CAS No.: 82235-61-8
• Molecular Formula: C14H14O6
• Molecular Weight: 278.262
• NSC Number: 111119
• DSSTox Substance ID: DTXSID00296709
• Nikkaji Number: J1.713.501E
• Wikidata: Q82037422
• ChEMBL ID: CHEMBL1979979

Synonyms:82235-61-8;NSC111119;NCIMech_000367;CHEMBL1979979;DTXSID00296709;CCG-35506;NSC-111119;NCI60_000254;2H-1-Benzopyran-3-carboxylic acid,7-dimethoxy-2-oxo-, ethyl ester

Chemical Property of 2-Oxo-5,7-dimethoxy-2H-1-benzopyran-3-carboxylic acid ethyl ester

Chemical Property:

• Vapor Pressure: 1.7E-08mmHg at 25°C
• Boiling Point: 455.8°C at 760 mmHg
• Flash Point: 204.7°C
• Density: 1.281g/cm³
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 278.07903816
• Heavy Atom Count: 20
• Complexity: 416

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CC2=C(C=C(C=C2OC)OC)OC1=O

Technology Process of 2-Oxo-5,7-dimethoxy-2H-1-benzopyran-3-carboxylic acid ethyl ester

There total 1 articles about 2-Oxo-5,7-dimethoxy-2H-1-benzopyran-3-carboxylic acid ethyl ester 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: 97.0%

2-hydroxy-4,6-dimethoxybenzaldehyde (708-76-9) + diethyl malonate (105-53-3) → ethyl 5,7-dimethoxy-2-oxo-2H-chromene-3-carboxylate (82235-61-8)

Guidance literature:

With piperidine; acetic acid; In ethanol; Heating;

DOI:10.1021/ol0157398

Reference yield: 82.0%

ethyl 5,7-dimethoxy-2-oxo-2H-chromene-3-carboxylate (82235-61-8) + p-toluidine (106-49-0,12221-03-3) → 3-(N-p-tolyl)carboxamide-5,7-dimethoxycoumarin

Guidance literature:

In ethanol; for 5h; Heating;

DOI:10.1081/SCC-120002505

Reference yield: 77.0%

ethyl 5,7-dimethoxy-2-oxo-2H-chromene-3-carboxylate (82235-61-8) → 2,2'-Dihydroxy-4,4',6,6'-tetramethoxy-benzaldazin (94068-62-9)

Guidance literature:

With hydrazine hydrate; In ethanol; for 5h; Heating;

DOI:10.1081/SCC-120002505

upstream raw materials:

2-hydroxy-4,6-dimethoxybenzaldehyde

diethyl malonate

Downstream raw materials:

Limettin

2,2'-Dihydroxy-4,4',6,6'-tetramethoxy-benzaldazin

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