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HomeProduct name listMethyl coumalate

Methyl coumalate

Synonym(s):Methyl 2-oxo-2H-pyran-5-carboxylate;Methyl 2-pyrone-5-carboxylate

  • CAS NO.:6018-41-3
  • Empirical Formula: C7H6O4
  • Molecular Weight: 154.12
  • MDL number: MFCD00010120
  • EINECS: 227-871-1
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2023-05-25 18:01:21
Methyl coumalate Structural

What is Methyl coumalate?

The Uses of Methyl coumalate

α, β-Unsaturated ketone Methyl Coumalate showed cytotoxicity against human normal gingival fibroblast cells and oral squamous cell carcinoma cell line-2.

The Uses of Methyl coumalate

Methyl coumalate is a 2-pyrone and acts as dienophile in Diels-Alder reaction. It reacts with 1,3-butadienes at 100°C to yield tetrahydrocoumarins and 4-methoxycarbonyltricyclo[3.2.1.02,7]octenes. It also reacts with cyclohexadiene to afford tetrahydronaphthalene-2-carboxylate. It undergoes Diels-Alder reaction with unactivated alkenes to afford para-substituted adducts. It has been used as reagent in phosphine-catalyzed [4+3] annulation of modified allylic carbonates. It was also used in the preparation of 7-carboxyquinolizinium derivatives.

The Uses of Methyl coumalate

Methyl coumalate has been used as reagent in phosphine-catalyzed [4+3] annulation of modified allylic carbonates. It was also used in the preparation of 7-carboxyquinolizinium derivatives.

General Description

Methyl coumalate is a 2-pyrone and acts as dienophile in Diels-Alder reaction. It reacts with 1,3-butadienes at 100°C to yield tetrahydrocoumarins and 4-methoxycarbonyltricyclo[3.2.1.02,7]octenes. It also reacts with cyclohexadiene to afford tetrahydronaphthalene-2-carboxylate. It undergoes Diels-Alder reaction with unactivated alkenes to afford para-substituted adducts.

Properties of Methyl coumalate

Melting point: 65-67 °C (lit.)
Boiling point: 178-180 °C/60 mmHg (lit.)
Density  1.1993 (rough estimate)
refractive index  1.4300 (estimate)
Flash point: 178-180°C/60mm
storage temp.  Inert atmosphere,Room Temperature
solubility  Freely soluble in dichloromethane.
form  powder to crystal
color  White to Orange to Green
Merck  14,2557
BRN  126301
CAS DataBase Reference 6018-41-3(CAS DataBase Reference)
NIST Chemistry Reference 2H-Pyran-5-carboxylic acid, 2-oxo-, methyl ester(6018-41-3)

Safety information for Methyl coumalate

Signal word Warning
Pictogram(s)
ghs
Health Hazard
GHS08
GHS Hazard Statements H317:Sensitisation, Skin
H334:Sensitisation, respiratory
Precautionary Statement Codes P201:Obtain special instructions before use.
P202:Do not handle until all safety precautions have been read and understood.
P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P272:Contaminated work clothing should not be allowed out of the workplace.
P363:Wash contaminated clothing before reuse.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
P308+P313:IF exposed or concerned: Get medical advice/attention.
P403:Store in a well-ventilated place.

Computed Descriptors for Methyl coumalate

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