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: 2024-11-21 15:02:05

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

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)	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.