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| IUPAC Name: | (4-cyanophenyl)boronic acid |
| Description: | Reactant involved in: Oxidative hydroxylation; Trifluoromethylation; 1,4-Addition reactions. Precursor in the synthesis of inhibitors such as: Tpl2 kinase inhibitors; P2X7 antagonists used in the treatment of pain. Reagent used for: Palladium-catalyzed arylation Suzuki-Miyaura cross-coupling in water; Ruthenium catalyzed direct arylation of benzylic sp3 carbons of acyclic amines with arylboronates; Ligand-free copper-catalyzed coupling of nitro arenes with arylboronic acids; Ferric perchlorate-promoted reaction of fullerenes with various arylboronic acids to give fullerenyl boronic esters; Phosphine-free Suzuki-Miyaura cross-coupling; Palladacycles as effective catalysts for multicomponent reaction with allylpalladium-intermediates; Chan-Lam-type Cu-catalyzed S-arylation of thiols ; Regioselective cross-coupling reactions under modfied Suzuki and Still cross-coupling reactions with Copper catalysis; Metal-free biaryl coupling in dimethyl carbonate as a solvent. Reagent used for Preparation of: Himbacine analogs as thrombin receptor antagonists and potential antiplatelet agents; Trisulfonated calixarene upper-rim sulfonamido and their complexation with trimethyllysine epigenetic mark; Antimalarial compounds via Suzuki cross-coupling; Deoxyuridine derivatives. |
| Molecular Weight: | 146.94 |
| Molecular Formula: | C7H6NO2B |
| Canonical SMILES: | B(C1=CC=C(C=C1)C#N)(O)O |
| InChI: | InChI=1S/C7H6BNO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,10-11H |
| InChI Key: | CEBAHYWORUOILU-UHFFFAOYSA-N |
| Boiling Point: | 355.9 ℃ at 760 mmHg |
| Melting Point: | >350 ℃ (lit.) |
| Flash Point: | Not applicable |
| Purity: | ≥ 95 % |
| Density: | 1.25 g/cm3 |
| MDL: | MFCD01318968 |
| LogP: | -0.76192 |
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