Methyl coumalate
ALDRICH/261432 - 98%
Synonym: Methyl 2-oxo-2H-pyran-5-carboxylate; Methyl 2-
CAS Number: 6018-41-3
Empirical Formula (Hill Notation): C7H6O4
Molecular Weight: 154.12
EC Number: 227-871-1
MDL Number: MFCD00010120
Linear Formula: C7H6O4
Product Type: Chemical
This picture is provided solely for illustration purposes. Optical properties of the actual product may deviate. Relevant product information is printed on labeled products and other accompanying or available information material. This image depicts SKU: 261432-10G
| assay | 98% |
| bp | 178-180 °C/60 mmHg (lit.) |
| form | solid |
| InChI | 1S/C7H6O4/c1-10-7(9)5-2-3 |
| InChI key | HHWWWZQYHPFCBY-UHFFFAOYSA |
| mp | 65-67 °C (lit.) |
| SMILES string | COC(=O)C1=COC(=O)C=C1 |
| Application: | 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 |
| Packaging: | 1, 10 g in glass bottle |
| RIDADR | NONH for all modes of transport |
| WGK Germany | WGK 3 |
| Flash Point(F) | Not applicable |
| Flash Point(C) | Not applicable |
| Purity | 98% |
| bp | 178-180 °C/60 mmHg (lit.) |
| mp | 65-67 °C (lit.) |
| UNSPSC | 12352100 |