methyl 3-oxo-3H-benzo[f]chromene-2-carboxylate

Base Information

• Chemical Name: methyl 3-oxo-3H-benzo[f]chromene-2-carboxylate
• CAS No.: 25816-60-8
• Molecular Formula: C15H10O4
• Molecular Weight: 254.23700
• DSSTox Substance ID: DTXSID80356658
• Nikkaji Number: J2.494.690H
• Wikidata: Q82136157
• ChEMBL ID: CHEMBL1726503
• Mol file: 25816-60-8.mol

Synonyms:methyl 3-oxo-3H-benzo[f]chromene-2-carboxylate;25816-60-8;methyl 3-oxobenzo[f]chromene-2-carboxylate;Oprea1_220495;MLS001178886;CHEMBL1726503;DTXSID80356658;HMS1649M13;HMS2784L06;MFCD00488486;STL335328;AKOS022113293;SMR000475996;SY301819;AE-848/32605028;SR-01000004913;SR-01000004913-1

Chemical Property of methyl 3-oxo-3H-benzo[f]chromene-2-carboxylate

Chemical Property:

• PSA: 56.51000
• LogP: 2.73280
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 254.05790880
• Heavy Atom Count: 19
• Complexity: 426

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC2=C(C=CC3=CC=CC=C32)OC1=O

Technology Process of methyl 3-oxo-3H-benzo[f]chromene-2-carboxylate

There total 9 articles about methyl 3-oxo-3H-benzo[f]chromene-2-carboxylate 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: 99.0%

2-hydroxynaphthalene-1-carbaldehyde (708-06-5) + malonic acid dimethyl ester (108-59-8) → 3-oxo-3H-naphtho[2,1-b]pyran-2-carboxylic acid methyl ester (25816-60-8)

Guidance literature:

With 1,3-dimethylimidazolium sulfate monomethyl ester; L-proline; In water; at 90 ℃; for 1.5h;

DOI:10.3390/molecules16064379

Reference yield: 94.0%

{2-Methoxycarbonyl-2-[2-methoxycarbonyl-benzo[f]chromen-(3Z)-ylidene]-ethylidene}-dimethyl-ammonium; perchlorate → 3-oxo-3H-naphtho[2,1-b]pyran-2-carboxylic acid methyl ester (25816-60-8)

Guidance literature:

With water;

Reference yield: 90.0%

methanol (67-56-1) + cycl-isopropylidene malonate (2033-24-1) + 2-hydroxynaphthalene-1-carbaldehyde (708-06-5) → 3-oxo-3H-naphtho[2,1-b]pyran-2-carboxylic acid methyl ester (25816-60-8)

Guidance literature:

With iron(III) chloride; at 70 ℃; for 8h;

DOI:10.1016/j.tet.2014.12.042

upstream raw materials:

methanol

ethyl 5,6-benzocoumarin-3-carboxylate

2-hydroxynaphthalene-1-carbaldehyde

malonic acid dimethyl ester

Downstream raw materials:

3-oxo-3H-benzo[f]chromene-2-carboxylic acid

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