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
| assay | ≥95.0% (GC) |
| bp | 93-95 °C/7 mmHg (lit.) |
| density | 1.119 g/mL at 20 °C (lit.) |
| form | liquid |
| functional group | ester |
| 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 |
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