1-METHYL-3-TRIFLUOROMETHYLPYRAZOLE-5-BORONIC ACID
- CAS No.
- 344591-91-9
- Chemical Name:
- 1-METHYL-3-TRIFLUOROMETHYLPYRAZOLE-5-BORONIC ACID
- Synonyms
- (1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)boronic acid;AKOS BRN-1191;1-METHYL-3-TRIFLUOROMETHYLPYRAZOLE-5-BORONIC ACID;5-Borono-1-methyl-3-(trifluoromethyl)-1H-pyrazole;2-Methyl-5-trifluoromethyl-2H-pyrazole-3-boronic acid;1-Methyl-3-(trifluoromethyl)-1H-pyrazole-5-boronic acid;(1-methyl-3-(trifluoromethyl)-1-pyrazol-5-yl)boronic acid;3-(trifluoroMethyl)-1-Methyl-1H-pyrazol-5-yl-5-boronic acid;B-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-Boronic acid;Boronic acid, [1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-
- CBNumber:
- CB0836634
- Molecular Formula:
- C5H6BF3N2O2
- Molecular Weight:
- 193.92
- MDL Number:
- MFCD08701785
- MOL File:
- 344591-91-9.mol
- MSDS File:
- SDS
| Melting point | 132-137°C |
|---|---|
| Boiling point | 311.3±52.0 °C(Predicted) |
| Density | 1.46±0.1 g/cm3(Predicted) |
| storage temp. | 2-8°C |
| form | powder or crystals |
| pka | 6.97±0.58(Predicted) |
| Appearance | White to off-white Solid |
| InChI | InChI=1S/C5H6BF3N2O2/c1-11-4(6(12)13)2-3(10-11)5(7,8)9/h2,12-13H,1H3 |
| InChIKey | XPUNXPPXMANQGF-UHFFFAOYSA-N |
| SMILES | B(C1N(C)N=C(C(F)(F)F)C=1)(O)O |
| UNSPSC Code | 12352103 |
| NACRES | NA.22 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|---|---|
| Signal word | Warning |
| Hazard statements | H302 |
| Precautionary statements | P280-P305+P351+P338 |
| WGK Germany | 3 |
| HS Code | 2933199090 |
| Storage Class | 11 - Combustible Solids |
1-METHYL-3-TRIFLUOROMETHYLPYRAZOLE-5-BORONIC ACID price More Price(53)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | 731730 | 1-Methyl-3-trifluoromethyl-1H-pyrazole-5-boronic acid ≥95% | 344591-91-9 | 250mg | $125 | 2023-06-20 | Buy |
| Sigma-Aldrich | 731730 | 1-Methyl-3-trifluoromethyl-1H-pyrazole-5-boronic acid ≥95% | 344591-91-9 | 1g | $242 | 2023-06-20 | Buy |
| Apolloscientific | PC7354 | 1-Methyl-3-(trifluoromethyl)-1H-pyrazole-5-boronic acid >97% | 344591-91-9 | 250mg | $21 | 2026-06-04 | Buy |
| Apolloscientific | PC7354 | 1-Methyl-3-(trifluoromethyl)-1H-pyrazole-5-boronic acid >97% | 344591-91-9 | 1g | $30 | 2026-06-04 | Buy |
| Apolloscientific | PC7354 | 1-Methyl-3-(trifluoromethyl)-1H-pyrazole-5-boronic acid >97% | 344591-91-9 | 5g | $142 | 2026-06-04 | Buy |
1-METHYL-3-TRIFLUOROMETHYLPYRAZOLE-5-BORONIC ACID Chemical Properties,Uses,Production
Synthesis
154471-65-5
344591-91-9
The general procedure for the synthesis of (1-methyl-3-trifluoromethyl-1H-pyrazol-5-yl)boronic acid from 1-methyl-3-trifluoromethyl-1H-pyrazole was as follows: 1-methyl-3-trifluoromethyl-1H-pyrazole (1.00 g, 6.66 mmol) was dissolved in THF (25 mL) in an oven-dried, round-bottomed flask. The flask was cooled to -78°C in an acetone/dry ice bath. Under stirring, 2.5 M n-butyllithium/hexane solution (3.196 ml, 7.99 mmol) was slowly added dropwise to the solution, followed by triisopropyl borate (5.01 g, 26.64 mmol). The reaction mixture was gradually warmed to room temperature and stirred continuously for 3 hours. Upon completion of the reaction, the pH of the reaction mixture was adjusted to 6 with 1N HCl solution, followed by removal of THF under vacuum.The aqueous phase was extracted with EtOAc (3 x 100 ml). The organic phases were combined, washed with brine and dried with anhydrous MgSO4. After filtration, the solvent was evaporated to give 2-methyl-5-trifluoromethyl-2H-pyrazole-3-boronic acid (1.12 g, 5.80 mmol, 87% yield) as a white solid. The product was analyzed by LCMS, m/z (%) = 195 (M+H, 100). 1H NMR (400 MHz, DMSO-d6) δ: 8.37-8.40 (m, 2H), 7.57 (dd, J=4.0 Hz, 1H), 4.06 (s, 3H).
References
[1] Patent: WO2005/12254, 2005, A1. Location in patent: Page/Page column 135-136
1-METHYL-3-TRIFLUOROMETHYLPYRAZOLE-5-BORONIC ACID Preparation Products And Raw materials
Raw materials
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Preparation Products
1-METHYL-3-TRIFLUOROMETHYLPYRAZOLE-5-BORONIC ACID Suppliers
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Cato Research Chemicals Inc. | 020-81960175-877 18933936954 | tianwen.zhan@cato-chem.com | China | 7335 | 58 |
| J & K SCIENTIFIC LTD. | 18210857532 18210857532 | jkinfo@jkchemical.com | China | 96815 | 76 |
| Energy Chemical | 400-0056266 | sales8178@energy-chemical.com | China | 44850 | 61 |
| Wuhan Chemwish Technology Co., Ltd | 86-027-67849912 | sales@chemwish.com | China | 35884 | 56 |
| Thermo Fisher Scientific | 800-810-5118 | cnchemical@thermofisher.com | China | 17752 | 75 |
| Jiangsu Aikon Biopharmaceutical R&D co.,Ltd. | 025-66113011 13913916777 | cfzhang@aikonchem.com | China | 19902 | 55 |
| 9ding chemical ( Shanghai) Limited | 4009209199 | sales@9dingchem.com | China | 22497 | 55 |
| Hebei Summedchem Co.,Ltd | 0319-5801333-8008 15630992918 | sales@summedchem.com | China | 1000 | 58 |
| Bide Pharmatech Ltd. | 400-164-7117 18317119277 | product02@bidepharm.com | China | 40000 | 60 |
| Shanghai ShiXian Chemical Technology Co., Ltd. | 13764359345 | 990877971@qq.com | China | 1914 | 50 |
