Dimethyl propargylmalonate
ALDRICH/81840 - ≥95.0% (GC)
CAS Number: 95124-07-5
Empirical Formula (Hill Notation): C8H10O4
Molecular Weight: 170.16
MDL Number: MFCD00077856
Linear Formula: HC≡CCH2CH(COOCH3)2
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: 81840-10ML.
| assay | ≥95.0% (GC) |
| bp | 93-95 °C/7 mmHg (lit.) |
| density | 1.119 g/mL at 20 °C (lit.) |
| form | liquid |
| InChI | 1S/C8H10O4/c1-4-5-6(7(9)1 |
| InChI key | PWQAXFWWMXTVFT-UHFFFAOYSA |
| refractive index | n |
| SMILES string | COC(=O)C(CC#C)C(=O)OC |
| Application: | Dimethyl propargylmalonate can be used as a reactant to synthesize: • Nitro methylenecyclopentanes by [3+2] annulation reaction with various nitroalkenes in the presence of Triton B. • Propargylmalonamides intermediates, applicable in the preparation of ″click BOX″ ligands by copper-catalyzed cycloaddition and oxazoline ring formation reaction. • Cyclopentene derivatives by reacting with various α, β-unsaturated ketones using a combination of organocatalysts and transition metal catalysts. |
| Packaging: | 10, 50 mL in glass bottle |
| RIDADR | NONH for all modes of transport |
| WGK Germany | WGK 3 |
| Flash Point(F) | 235.4 °F - closed cup |
| Flash Point(C) | 113 °C - closed cup |
| Purity | ≥95.0% (GC) |
| bp | 93-95 °C/7 mmHg (lit.) |
| Density | 1.119 g/mL at 20 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12352100 |