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| Related CAS: | 1373752-82-9 (deleted) |
| IUPAC Name: | (4-methoxycarbonylphenyl)boronic acid |
| Description: | 4-(Methoxycarbonyl)phenylboronic Acid is used in the synthesis and evaluation of several organic compounds including that of 4-Cyclohexylbutyl-N-[(S)-2-oxoazetidin-3-yl]carbamate which is a potent inhibitor of intracellular NAAA activity. Also used in the design and synthesis of BMS-955176 which is a potent, orally active second generation HIV-1 maturation inhibitor. |
| Molecular Weight: | 179.97 |
| Molecular Formula: | C8H9BO4 |
| Canonical SMILES: | B(C1=CC=C(C=C1)C(=O)OC)(O)O |
| InChI: | InChI=1S/C8H9BO4/c1-13-8(10)6-2-4-7(5-3-6)9(11)12/h2-5,11-12H,1H3 |
| InChI Key: | PQCXFUXRTRESBD-UHFFFAOYSA-N |
| Boiling Point: | 345.8±44.0 °C (Predicted) |
| Melting Point: | 197-200 °C |
| Flash Point: | Not applicable |
| Purity: | > 98 % (HPLC) |
| Density: | 1.250±0.10 g/cm3 (Predicted) |
| Solubility: | Slightly soluble in DMSO, Methanol |
| Appearance: | White to yellowish crystal powder |
| Storage: | 2-8 °C under inert atmosphere |
| MDL: | MFCD01632203 |
| LogP: | -0.84700 |
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