methyl 4-oxo-4H-chromene-2-carboxylate

Base Information

• Chemical Name: methyl 4-oxo-4H-chromene-2-carboxylate
• CAS No.: 18398-73-7
• Molecular Formula: C11H8 O4
• Molecular Weight: 204.182
• Hs Code.: 2918300090
• DSSTox Substance ID: DTXSID40171521
• Nikkaji Number: J2.777.914J
• Wikidata: Q83041598
• Mol file: 18398-73-7.mol

Synonyms:methyl 4-oxo-4H-chromene-2-carboxylate;18398-73-7;methyl 4-oxochromene-2-carboxylate;Chromone-2-carboxylic acid methyl ester;Methyl chromone-2-carboxylate;BRN 0011697;4-Oxo-4H-1-benzopyran-2-carboxylic acid methyl ester;4H-1-Benzopyran-2-carboxylicacid, 4-oxo-, methyl ester;4H-1-BENZOPYRAN-2-CARBOXYLIC ACID, 4-OXO-, METHYL ESTER;MFCD00250076;2-methoxycarbonylchromone;SCHEMBL3397825;DTXSID40171521;AC4956;BBL022615;STK744481;AKOS000298856;CCG-356222;MB01087;Chromone-2-carboxylic acid, methyl ester;LS-39239;SY248636;VS-07238;CS-0312881;AE-641/04609013;Z18483210

Chemical Property of methyl 4-oxo-4H-chromene-2-carboxylate

Chemical Property:

• Vapor Pressure: 0.000569mmHg at 25°C
• Boiling Point: 311.3°Cat760mmHg
• Flash Point: 137.2°C
• PSA: 56.51000
• Density: 1.337g/cm³
• LogP: 1.57960
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 204.04225873
• Heavy Atom Count: 15
• Complexity: 319

Purity/Quality:

97% ^*data from raw suppliers

methyl4-oxo-4H-chromene-2-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC(=O)C2=CC=CC=C2O1

Technology Process of methyl 4-oxo-4H-chromene-2-carboxylate

There total 11 articles about methyl 4-oxo-4H-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%

methanol (67-56-1) + acide chromone carboxylique-2 (4940-39-0) → methyl 4-oxo-4H-chromene-2-carboxylate (18398-73-7)

Guidance literature:

With sulfuric acid; Reflux;

DOI:10.1111/cbdd.12505

Reference yield: 87.0%

1,3-dioxo-1-(2-hydroxyphenyl)butyl methyl ester (55386-79-3) → methyl 4-oxo-4H-chromene-2-carboxylate (18398-73-7)

Guidance literature:

With proline p-dodecylphenylsulphonylhydrazide; water; In methanol; at 55 ℃; for 48h; Reagent/catalyst;

DOI:10.1016/j.tet.2014.10.045

Reference yield: 80.0%

o-hydroxyacetophenone (118-93-4,104809-67-8) + oxalic acid diethyl ester (95-92-1) → methyl 4-oxo-4H-chromene-2-carboxylate (18398-73-7)

Guidance literature:

With sodium methylate; In methanol; benzene; for 8h; Heating;

upstream raw materials:

methanol

acide chromone carboxylique-2

o-hydroxyacetophenone

oxalic acid diethyl ester

Downstream raw materials:

5-(2-hydroxy-phenyl)-1⁽²⁾H-pyrazole-3-carboxylic acid hydrazide

2-((4-(2-isopropylphenyl)-5,6-dihydropyridin-1(2H)-yl)methyl)-4H-chromen-4-one

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