Coumalic acid

Coumalic acid Basic information
Product Name:Coumalic acid
Synonyms:2-Oxo-2H-pyran-5-carboxylic acid, 2-Pyrone-5-carboxylic acid;6-Oxopyran-3-carboxylic acid;a-Pyrone-5-carboxylic acid;α-Pyrone-5-carboxylic acid;Coumalic acid, 5-Carboxy-2-pyrone;2H-Pyran-5-carboxylic acid, 2-oxo;CouMalic acid 97%;CouMalic Acid, 97.0%(GC&T
CAS:500-05-0
MF:C6H4O4
MW:140.09
EINECS:207-899-0
Product Categories:sy
Mol File:500-05-0.mol
Coumalic acid Structure
Coumalic acid Chemical Properties
Melting point 203-205 °C (dec.) (lit.)
Boiling point 218 °C/120 mmHg (lit.)
density 1.2154 (rough estimate)
refractive index 1.4434 (estimate)
Fp 218°C/120mm
storage temp. Sealed in dry,Room Temperature
pka2.80±0.20(Predicted)
form powder to crystal
color White to Light yellow to Light orange
Water Solubility Very soluble in water.
Merck 14,2557
BRN 119747
LogP0.411 (est)
CAS DataBase Reference500-05-0(CAS DataBase Reference)
NIST Chemistry Reference2H-Pyran-5-carboxylic acid, 2-oxo-(500-05-0)
EPA Substance Registry System2H-Pyran-5-carboxylic acid, 2-oxo- (500-05-0)
Safety Information
Hazard Codes Xi
Safety Statements 22-24/25
WGK Germany 3
TSCA Yes
HS Code 29322090
MSDS Information
ProviderLanguage
2-Oxo-2H-pyran-5-carboxylic acid English
SigmaAldrich English
ACROS English
ALFA English
Coumalic acid Usage And Synthesis
Chemical Propertiespale yellow to pale brown powder
UsesCoumalic acid undergoes thermal reaction with 1,3-butadiene to yield dimethyl tricycle[3.2.1.02,7]oct-3-ene-2,4-dicarboxylate.
DefinitionChEBI: Coumalic acid is a pyranone.
General DescriptionDecarboxylates to α-pyrone, a Diels-Alder diene.
Purification MethodsThe acid crystallises from MeOH. The methyl ester has m 73-74o (from pet ether) and b 178-180o/60 mm. [Beilstein 18/8 V 120.]
METHYL 6-METHYL-3-[(4-METHYLBENZOYL)AMINO]-2-OXO-2H-PYRAN-5-CARBOXYLATE METHYL 3-[(4-CHLOROBENZOYL)AMINO]-6-METHYL-2-OXO-2H-PYRAN-5-CARBOXYLATE METHYL 3-(BENZOYLAMINO)-6-METHYL-2-OXO-2H-PYRAN-5-CARBOXYLATE Ethyl 2-(Chlorosulfonyl)acetate ETHYL 3-[(4-CHLOROBENZOYL)AMINO]-2-OXO-6-PHENYL-2H-PYRAN-5-CARBOXYLATE Ascoric Acid METHYL 6-METHYL-2-OXO-3-([3-(TRIFLUOROMETHYL)BENZOYL]AMINO)-2H-PYRAN-5-CARBOXYLATE 3-BROMO-5-CARBETHOXY-4,6-DIMETHYL-2-PYRONE METHYL 3-[(4-METHOXYBENZOYL)AMINO]-6-METHYL-2-OXO-2H-PYRAN-5-CARBOXYLATE ETHYL 3-[(3-CHLOROBENZOYL)AMINO]-2-OXO-6-PHENYL-2H-PYRAN-5-CARBOXYLATE 5-Carbethoxy-4,6-dimethyl-2-pyrone Centchroman METHYL 3-[(3-CHLOROBENZOYL)AMINO]-6-METHYL-2-OXO-2H-PYRAN-5-CARBOXYLATE Coumalic acid CARBOXYLIC ACID METHYL 6-METHYL-3-[(4-NITROBENZOYL)AMINO]-2-OXO-2H-PYRAN-5-CARBOXYLATE ETHYL 2-OXO-6-PHENYL-3-([3-(TRIFLUOROMETHYL)BENZOYL]AMINO)-2H-PYRAN-5-CARBOXYLATE ETHYL 3-[(4-METHOXYBENZOYL)AMINO]-2-OXO-6-PHENYL-2H-PYRAN-5-CARBOXYLATE

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