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
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) |
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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