4-Pyrazoleboronic acid pinaol ester
1H-Pyrazole-4-boronic acid pinacol ester
CAS: 269410-08-4
Molecular Formula: C9H15BN2O2
4-Pyrazoleboronic acid pinaol ester - Names and Identifiers
| Name | 1H-Pyrazole-4-boronic acid pinacol ester |
| Synonyms | Pyrazole-4-boronicacidpinacolester 4-Pyrazoleboronic acid pinaol ester Pyrazole-4-boronic acid pinacol ester 1H-Pyrazole-4-boronic acid pinacol ester 1H-Pyrazole-4-Boronic Acid, Pinacol Ester 4-(tetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole 4-(4,4,5,5-TetraMethyl-1,3,2-dioxaborolan-2-yl)pyrazole 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole 1H-Pyrazole, 4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)- 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole4-Pyrazoleboronic acid pinacol ester |
| CAS | 269410-08-4 |
| EINECS | 629-131-7 |
| InChI | InChI=1/C9H15BN2O2/c1-8(2)9(3,4)14-10(13-8)7-5-11-12-6-7/h5-6H,1-4H3,(H,11,12) |
| InChIKey | TVOJIBGZFYMWDT-UHFFFAOYSA-N |
4-Pyrazoleboronic acid pinaol ester - Physico-chemical Properties
| Molecular Formula | C9H15BN2O2 |
| Molar Mass | 194.04 |
| Density | 1.09±0.1 g/cm3(Predicted) |
| Melting Point | 142-146 °C (lit.) |
| Boling Point | 335.4±15.0 °C(Predicted) |
| Flash Point | 156.628°C |
| Water Solubility | insoluble |
| Solubility | DMSO, Ethyl Acetate, Methanol |
| Vapor Presure | 0mmHg at 25°C |
| Appearance | Powder |
| Color | Off-white to tan |
| pKa | 13.36±0.50(Predicted) |
| Storage Condition | Keep in dark place,Sealed in dry,Room Temperature |
| Refractive Index | 1.487 |
| MDL | MFCD03453063 |
| Use | Reagent used for ? Suzuki-Miyaura cross-couplings ? Ruthenium-catalyzed asymmetric hydrogenation Reagent used in preparation of inhibitors of many highly significant therapeutic enzymes and kinases containing the privileged scaffold pyrazole, includi |
4-Pyrazoleboronic acid pinaol ester - Risk and Safety
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. |
| WGK Germany | 3 |
| TSCA | No |
| HS Code | 29331990 |
| Hazard Note | Irritant/Flammable |
4-Pyrazoleboronic acid pinaol ester - Reference Information
| Uses | 4-pyrazole borate pinacol ester is used to prepare Rho kinase (ROCK) inhibitors and other bioactive compounds. |
| Application | 4-pyrazole borate pinacol ester is used as a pharmaceutical intermediate; organometallic reagent. 4-pyrazole boric acid pinacol ester is an organic synthesis intermediate and pharmaceutical intermediate, which can be used as an organic boration reagent in the laboratory organic synthesis process and chemical medicine research and development process, mainly used in suzuki reaction process. |
Last Update：2024-04-09 21:21:28
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