Catalog NumberNZs13036027
CAS Number13036-02-7
CategoryBuilding-Block Reagents for Supramolecular Catalysis
| Description | Dimethyl 5-hydroxyisophthalate is a bifunctional aromatic compound containing both ester groups and a phenolic hydroxyl group. This combination provides versatile reactivity for further functionalization and coupling. |
| IUPAC Name | Dimethyl 5-hydroxybenzene-1,3-dicarboxylate |
| Molecular Weight | 210.18 |
| Molecular Formula | HOC6H3-1,3-(CO2CH3)2 |
| Canonical SMILES | COC(=O)c1cc(O)cc(c1)C(=O)OC |
| InChI | 1S/C10H10O5/c1-14-9(12)6-3-7(10(13)15-2)5-8(11)4-6/h3-5,11H,1-2H3 |
| InChI Key | DOSDTCPDBPRFHQ-UHFFFAOYSA-N |
| Melting Point | 162-164 °C (lit.) |
| Purity | 0.98 |
| Appearance | White to Almost white powder to crystal |
| Application | It serves as a key intermediate in calixarene and cavitand synthesis, enabling controlled ester hydrolysis, ether formation, or condensation reactions. Its multifunctionality supports the construction of tailored supramolecular scaffolds and host molecules. |
| EC Number | 235-899-0 |
| Exact Mass | 210.05282342 Da |
| MDL Number | MFCD00134367 |
| Monoisotopic Mass | 210.05282342 Da |
| Pubchem CID | 24863128 |
| Storage Conditions | It is recommended to store this product at room temperature in a cool, dry place, <15°C. |
| WGK Germany | 3 |
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