Methyl coumarin-3-carboxylate

Base Information

Chemical Name:Methyl coumarin-3-carboxylate
CAS No.:21259-42-7
Molecular Formula:C11H8O4
Molecular Weight:204.182
Hs Code.:2932209090
DSSTox Substance ID:DTXSID30175513
Nikkaji Number:J24.826F
Wikidata:Q83045876
ChEMBL ID:CHEMBL1569462
Mol file:21259-42-7.mol

Synonyms:Methyl coumarin-3-carboxylate;21259-42-7;Methyl 2-oxo-2H-chromene-3-carboxylate;methyl 2-oxochromene-3-carboxylate;2-Oxo-2H-1-benzopyran-3-carboxylic acid methyl ester;2H-1-BENZOPYRAN-3-CARBOXYLIC ACID, 2-OXO-, METHYL ESTER;MFCD00249953;BRN 0176130;AI3-36065;AI 3-36065;2-Oxo-2H-chromene-3-carboxylic acid methyl ester;SCHEMBL76086;MLS000523665;IFLab1_000621;CHEMBL1569462;DTXSID30175513;HMS1413M05;HMS2378G16;CCG-15545;STK749977;AKOS000348717;IDI1_008840;UPCMLD0ENAT5575665:001;NCGC00245182-01;LS-39238;SMR000122738;SY302071;Methyl 2-oxo-2H-chromene-3-carboxylate #;EU-0001673;SR-01000401137;SR-01000401137-1;Z18746129;F0110-0035

Suppliers and Price of Methyl coumarin-3-carboxylate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Total 1 raw suppliers

Chemical Property of Methyl coumarin-3-carboxylate

Chemical Property:

Vapor Pressure:1.23E-05mmHg at 25°C
Boiling Point:368.9°Cat760mmHg
Flash Point:192.9°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:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC(=O)C1=CC2=CC=CC=C2OC1=O

Technology Process of Methyl coumarin-3-carboxylate

There total 2 articles about Methyl coumarin-3-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: 69.0%

: 1173178-79-4
dimethyl 2-(2-(benzyloxy)benzylidene)malonate

: 21259-42-7
methyl 2-oxo-2H-chromene-3-carboxylate

: 1173178-80-7
dimethyl 2-phenylchroman-3,3-dicarboxylate

Guidance literature:: With scandium tris(trifluoromethanesulfonate); In 1,2-dichloro-ethane; for 24h; Reflux; Inert atmosphere;
DOI:10.1021/ol100316k

Reference yield: 40.0%

: 123-08-0,65581-83-1
4-hydroxy-benzaldehyde

: 108-59-8
malonic acid dimethyl ester

: 21259-42-7
methyl 2-oxo-2H-chromene-3-carboxylate

: dimethyl 2-(2-acetoxybenzylidene)malonate

Guidance literature:: With indium(III) chloride; acetic anhydride; In toluene; at 60 ℃; for 8h; Sealed tube; Inert atmosphere;
DOI:10.1021/acs.joc.5b00011