- 3-(Trifluoromethyl)pyrazole
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- $5.00 / 1KG
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2025-09-25
- CAS:20154-03-4
- Min. Order: 1KG
- Purity: 99%
- Supply Ability: g-kg-tons, free sample is available
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| | 3-(Trifluoromethyl)pyrazole Basic information |
| | 3-(Trifluoromethyl)pyrazole Chemical Properties |
| Melting point | 45-47 °C (lit.) | | Boiling point | 70 °C/2 mmHg (lit.) | | density | 1.3931 (estimate) | | storage temp. | Keep in dark place,Sealed in dry,Room Temperature | | form | powder to crystal | | pka | 10.56±0.10(Predicted) | | color | White to Light yellow | | BRN | 1564179 | | InChI | InChI=1S/C4H3F3N2/c5-4(6,7)3-1-2-8-9-3/h1-2H,(H,8,9) | | InChIKey | PYXNITNKYBLBMW-UHFFFAOYSA-N | | SMILES | N1C=CC(C(F)(F)F)=N1 | | CAS DataBase Reference | 20154-03-4(CAS DataBase Reference) |
| Hazard Codes | Xi | | Risk Statements | 36/37/38 | | Safety Statements | 26-36-37/39 | | WGK Germany | 3 | | HazardClass | IRRITANT | | HS Code | 29331990 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| | 3-(Trifluoromethyl)pyrazole Usage And Synthesis |
| Chemical Properties | Colorless to light yellow liqui | | Uses | 3-(Trifluoromethyl)pyrazole was determined to be a small compound inhibitor of human FATP2. | | Uses | 3-(Trifluoromethyl)pyrazole may be used in copper-catalyzed pyrazole N-arylation. It may be used in the synthesis of sodium hydridotris(1H-3-trifluoromethylpyrazol-1-yl)borate by heating with sodium borohydride. | | Definition | ChEBI: 3-(Trifluoromethyl)-1H-pyrazole is a member of pyrazoles. | | General Description | 3-(Trifluoromethyl)pyrazoles is a heterocyclic building block. It undergoes alkylation with alkyl iodides in DMF to afford the N-alkyl pyrazoles. It participates in the synthesis of disubstituted pyrimidines. | | Synthesis | Example 2 Preparation of 3-(trifluoromethyl)-1H-pyrazole: In a three-necked flask equipped with a mechanical stirrer, a reflux condenser, and a dropping funnel, a solution of 4.4 moles of hydrazine hydrochloride dissolved in 2.2 L of methanol was added. Under nitrogen protection, an equimolar amount of (E)-1-ethoxy-3-trifluoromethyl-1,3-butadiene (ETFBO) was slowly added through the dropping funnel in a titration process for about 4 hours while the temperature of the reaction mixture was controlled to remain below 15 °C. After completion of the dropwise addition, the reaction mixture was refluxed for 12 hours. At the end of the reaction, the reaction solution was filtered and transferred to a 2L flask and concentrated under vacuum (another batch of reaction prepared in parallel under the same conditions, the total yield of the two batches of crude product was about 95%). After combining the two batches of crude product, purification was carried out by short-range vacuum distillation (27 mbar), resulting in 1105 g of pure product in 92% yield of the theoretical value. | | References | [1] Patent: WO2010/37688, 2010, A1. Location in patent: Page/Page column 8
[2] Patent: WO2009/14730, 2009, A1. Location in patent: Page/Page column 131-132
[3] Patent: WO2011/17389, 2011, A1. Location in patent: Page/Page column 152
[4] Journal of Organic Chemistry USSR (English Translation), 1990, vol. 26, # 9.1, p. 1623 - 1628
[5] Zhurnal Organicheskoi Khimii, 1990, vol. 26, # 9, p. 1877 - 1883 |
| | 3-(Trifluoromethyl)pyrazole Preparation Products And Raw materials |
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