Catalog NumberNZs16225266
CAS Number16225-26-6
CategoryBuilding-Block Reagents for Supramolecular Catalysis
| Description | 3,5-Di-tert-butylbenzoic acid is a sterically hindered aromatic carboxylic acid used to modify end groups in supramolecular structures. The tert-butyl groups provide both steric protection and hydrophobic character. |
| Molecular Weight | 234.33 |
| Molecular Formula | [(CH3)3C]2C6H3CO2H |
| Canonical SMILES | CC(C)(C)c1cc(cc(c1)C(C)(C)C)C(O)=O |
| InChI | 1S/C15H22O2/c1-14(2,3)11-7-10(13(16)17)8-12(9-11)15(4,5)6/h7-9H,1-6H3,(H,16,17) |
| InChI Key | NCTSLPBQVXUAHR-UHFFFAOYSA-N |
| Melting Point | 173-175 °C (lit.) |
| Purity | 0.99 |
| Solubility | Soluble in Methanol |
| Appearance | Powder |
| Application | It serves as a capping agent or functional unit in the synthesis of macrocycles, cavitands, and frameworks. Its bulky structure is advantageous for controlling molecular recognition, improving selectivity, and preventing undesired aggregation. |
| Color | white |
| EC Number | 240-350-3 |
| MDL Number | MFCD00082727 |
| Pubchem CID | 24856526 |
| 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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