| Identification | Back Directory | [Name]
4-(3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl)-phenylamine | [CAS]
123066-64-8 | [Synonyms]
CRAC 2
CRAC intermediate 2
4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]aniline
4-(3,5-Bis(trifluoroMethyl)-1H-pyrazol-1-yl)aniline
4-(3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl)-phenylamine
Benzenamine, 4-[3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl]- | [Molecular Formula]
C11H7F6N3 | [MDL Number]
MFCD00220969 | [MOL File]
123066-64-8.mol | [Molecular Weight]
295.18 |
| Chemical Properties | Back Directory | [Melting point ]
140-142 °C | [Boiling point ]
298.4±40.0 °C(Predicted) | [density ]
1.52±0.1 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Inert atmosphere,2-8°C | [solubility ]
DMSO : ≥ 52 mg/mL (176.16 mM) | [form ]
Solid | [pka]
2.65±0.10(Predicted) | [color ]
Light yellow to yellow |
| Hazard Information | Back Directory | [Uses]
CRAC intermediate 2 is a intermediate compound for CRAC inhibitor synthesis, extracted from patent WO 2013059666A1. | [Synthesis]
Under hydrogen atmosphere, 1-(4-nitrophenyl)-3,5-bis(trifluoromethyl)-1H-pyrazole (4.4 g, 13.5 mmol) was dissolved in EtOAc (44 mL) and Pd/C (1.3 g) was added. The reaction mixture was stirred at room temperature for 2 hours. Upon completion of the reaction, the mixture was vacuum filtered through a diatomaceous earth pad and the filter cake was washed with EtOAc. The filtrate was concentrated under reduced pressure to afford 4-(3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl)-aniline (compound 13) as a light yellow solid (3.75 g, 12.7 mmol, 94% yield). The product was characterized by 1H-NMR (300 MHz, CDCl3) and mass spectrometry (MS): 1H-NMR δ 7.22 (d, J=8.5 Hz, 2H), 7.00 (s, 1H), 6.72 (d, J=8.5 Hz, 2H); MS m/z: [M+H]+ 296. | [References]
[1] Journal of Organic Chemistry, 2011, vol. 76, # 16, p. 6657 - 6669
[2] Patent: WO2017/212414, 2017, A1. Location in patent: Page/Page column 43
[3] Journal of Medicinal Chemistry, 2000, vol. 43, # 16, p. 2975 - 2981 |
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Cool Pharm, Ltd
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021-60455363 18019463053 |
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www.coolpharm.com |
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WG reagent
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13391486464 |
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www.wgchemical.com |
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