1-Phenyl-5-trifluoromethyl-1H-pyrazole-4-carboxylic acid ethyl ester
- CAS No.
- 741717-63-5
- Chemical Name:
- 1-Phenyl-5-trifluoromethyl-1H-pyrazole-4-carboxylic acid ethyl ester
- Synonyms
- 1-Phenyl-3-trifluoromethyl-1H-pyrazole-4-carboxylic acid ethyl ester;1H-Pyrazole-4-carboxylicacid, 1-phenyl-3-(trifluoromethyl)-, ethyl ester
- CBNumber:
- CB61481817
- Molecular Formula:
- C13H11F3N2O2
- Molecular Weight:
- 284.23
- MDL Number:
- MFCD00068138
- MOL File:
- 741717-63-5.mol
- MSDS File:
- SDS
| Product description | Number | Pack Size | Price |
| Ethyl1-Phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate | E926730 | 100mg | $60 |
| Ethyl 1-phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate | 4H58-3-3C | 1g | $136 |
| Ethyl 1-phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate 95+% | 059054 | 1g | $171 |
| Ethyl1-phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate | PC446021 | 5g | $276 |
| Ethyl1-phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate | PC446021 | 1g | $85 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|---|---|
| Signal word | Warning |
| Hazard statements | H315-H319-H335 |
| Precautionary statements | P261-P305+P351+P338 |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36/37/39 |
| HS Code | 29331990 |
1-Phenyl-5-trifluoromethyl-1H-pyrazole-4-carboxylic acid ethyl ester price More Price(22)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| TRC | E926730 | Ethyl1-Phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate | 741717-63-5 | 100mg | $60 | 2021-12-16 | Buy |
| SynQuest Laboratories | 4H58-3-3C | Ethyl 1-phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate | 741717-63-5 | 1g | $136 | 2021-12-16 | Buy |
| Matrix Scientific | 059054 | Ethyl 1-phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate 95+% | 741717-63-5 | 1g | $171 | 2021-12-16 | Buy |
| Apolloscientific | PC446021 | Ethyl1-phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate | 741717-63-5 | 5g | $276 | 2021-12-16 | Buy |
| Apolloscientific | PC446021 | Ethyl1-phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate | 741717-63-5 | 1g | $85 | 2021-12-16 | Buy |
1-Phenyl-5-trifluoromethyl-1H-pyrazole-4-carboxylic acid ethyl ester Chemical Properties,Uses,Production
Chemical Properties
White solid
Synthesis
591-50-4
155377-19-8
741717-63-5
Part I: Preparation of preferred intermediates Preparation of 1-phenyl-3-trifluoromethyl-1H-pyrazole-4-carboxylic acid Ethyl 3-trifluoromethyl-1H-pyrazole-4-carboxylate (2.5 g, 12.0 mmol), copper(I) iodide (0.69 g, 3.6 mmol), and potassium carbonate (3.49 g, 25.3 mmol) were placed in a round-bottomed flask and toluene (12 mL) was added as a solvent. The system was purged with argon to remove oxygen. Subsequently, iodobenzene (1.61 mL, 14.4 mmol) and racemic trans-N,N'-dimethyl-cyclohexane-1,2-diamine (1.16 mL, 7.2 mmol) were added to the reaction system. The reaction mixture was heated and stirred under argon protection in an oil bath at 110°C for 24 hours. Upon completion of the reaction, it was cooled to room temperature, the reaction mixture was diluted with ethyl acetate and filtered through a bed of diatomaceous earth. The organic phase washings were combined and concentrated under reduced pressure to give the crude product. The crude product was purified by silica gel column chromatography (Isco 120g column, elution gradient 0→30% ethyl acetate/hexane) to afford ethyl 1-phenyl-3-trifluoromethyl-1H-pyrazole-4-carboxylate (2.91 g, 85% yield) as an off-white solid. The structure of the product was confirmed by NMR spectroscopy. Ethyl 1-phenyl-3-trifluoromethyl-1H-pyrazole-4-carboxylate (1.25 g, 4.4 mmol) was dissolved in methanol (20 mL), 1N aqueous sodium hydroxide (17.3 mL) was added, and the hydrolysis reaction was carried out by stirring overnight at room temperature. After the reaction was completed, the reaction mixture was concentrated under reduced pressure and acidified with 1N aqueous hydrochloric acid to pH~1. The resulting slurry was extracted with dichloromethane, and the organic layers were combined, washed with saturated sodium chloride solution and dried with anhydrous sodium sulfate. After filtration and concentration under reduced pressure, 1-phenyl-3-trifluoromethyl-1H-pyrazole-4-carboxylic acid (1g, 89% yield) was obtained as an off-white solid, which could be used for the subsequent reaction without further purification.LCMS analysis: calculated value of C11H7F3N2O2 (m/e) 256, measured value 255 (M-H).
References
[1] Patent: WO2008/141976, 2008, A1. Location in patent: Page/Page column 55
[2] Patent: US2010/152445, 2010, A1. Location in patent: Page/Page column 8
[3] Journal of Organic Chemistry, 2004, vol. 69, # 17, p. 5578 - 5587
[4] Patent: WO2008/11130, 2008, A2. Location in patent: Page/Page column 134-135
[5] Patent: WO2008/11131, 2008, A2. Location in patent: Page/Page column 270-271
1-Phenyl-5-trifluoromethyl-1H-pyrazole-4-carboxylic acid ethyl ester Preparation Products And Raw materials
Raw materials
Preparation Products
1-Phenyl-5-trifluoromethyl-1H-pyrazole-4-carboxylic acid ethyl ester Suppliers
| Supplier | Tel | Country | ProdList | Advantage | |
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| Alchem Pharmtech,Inc. | 8485655694 | sales@alchempharmtech.com | United States | 63687 | 58 |
| Neostar United (Changzhou) Industrial Co., Ltd. | +86-0519-85551759 +8613506123987 | marketing1@neostarunited.com | China | 8828 | 58 |
| Suzhou Victorypharm Co.,Ltd. | +86-13916956214 | sales@victory-pharm.com | China | 1299 | 58 |
| Hunan Jibang Biological Technology Co., LTD | +8613776644403 | sales02@kingboomtech.com | China | 1804 | 58 |
| Aladdin Scientific | tp@aladdinsci.com | United States | 52923 | 58 | |
| Shanghai Hanhong Scientific Co., Ltd. | +undefined17612118332 | Lucky@hanhonggroup.com | China | 5844 | 58 |
| Amadis Chemical Company Limited | 571-89925085 | sales@amadischem.com | China | 131957 | 58 |
| J & K SCIENTIFIC LTD. | 18210857532; 18210857532 | jkinfo@jkchemical.com | China | 96815 | 76 |
| Pure Chemistry Scientific Inc. | 001-857-928-2050 or 1-888-588-9418 | sales@chemreagents.com | United States | 10186 | 62 |
| Shanghai Hanhong Scientific Co.,Ltd. | 021-54306202 13764082696 | info@hanhongsci.com | China | 42934 | 64 |
