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| | 3,5-DIMETHYLPYRAZOLE-4-BORONIC ACID, PINACOL ESTER Basic information |
| Product Name: | 3,5-DIMETHYLPYRAZOLE-4-BORONIC ACID, PINACOL ESTER | | Synonyms: | 3,5-DIMETHYLPYRAZOLE-4-BORONIC ACID, PINACOL ESTER;3,5-DIMETHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOLE;3,5-Dimethylpyrazole-4-boronic acid picol ester;3,5-Dimethyl-1H-pyrazole-4-boronic acid, pinacol ester 97%;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,4-dimethyl-1H-pyrazole;3,5-dimethyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;3,5-Dimethyl-1H-pyrazole-4-boronic acid, pinacol ester;3,5-Dimethyl-pyrazole-4-boronic acid | | CAS: | 857530-80-4 | | MF: | C11H19BN2O2 | | MW: | 222.09 | | EINECS: | | | Product Categories: | Boronate Esters;Boronic Acids and Derivatives;Chemical Synthesis;Heteroaryl Boronate Esters;Organometallic Reagents | | Mol File: | 857530-80-4.mol |  |
| | 3,5-DIMETHYLPYRAZOLE-4-BORONIC ACID, PINACOL ESTER Chemical Properties |
| Melting point | 163-168 °C (lit.) | | Boiling point | 364.5±42.0 °C(Predicted) | | density | 1.05±0.1 g/cm3(Predicted) | | storage temp. | Keep in dark place,Sealed in dry,Room Temperature | | form | solid | | pka | 14.48±0.50(Predicted) | | color | White to off-white | | InChI | InChI=1S/C11H19BN2O2/c1-7-9(8(2)14-13-7)12-15-10(3,4)11(5,6)16-12/h1-6H3,(H,13,14) | | InChIKey | GNUDAJTUCJEBEI-UHFFFAOYSA-N | | SMILES | N1C(C)=C(B2OC(C)(C)C(C)(C)O2)C(C)=N1 |
| Hazard Codes | Xi | | Risk Statements | 36/38 | | Safety Statements | 26 | | WGK Germany | 3 | | HS Code | 29310099 |
| | 3,5-DIMETHYLPYRAZOLE-4-BORONIC ACID, PINACOL ESTER Usage And Synthesis |
| Chemical Properties | White to beige powder | | Uses | 3,5-Dimethylpyrazole-4-boronic acid pinacol ester can be used:
- To synthesize 9H-pyrimido[4,5-b]indole and aryl-benzimidazole based BET bromodomain and extra terminal (BET) protein inhibitors.
- To prepare naphthalimide based photo-exchangeable photochromic fluorescent molecules.
- As a reactant to develop DNA-encoded chemical libraries by palladium-catalyzed Suzuki coupling reaction with DNA-linked aryl halides.
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| | 3,5-DIMETHYLPYRAZOLE-4-BORONIC ACID, PINACOL ESTER Preparation Products And Raw materials |
| Preparation Products | 1-(3,5-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)-2-methylpropan-2-ol-->1,3,5-TRIMETHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOLE |
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