Ethyl 1-(4-chlorobenzyl)-3-(4-fluorophenyl)-1<i>H</i>-pyrazole-5-carboxylate

The synthesis of pyrazoles and its derivatives remains of great interest due to their wide applications in pharmaceutical and agrochemical industry. The 1‐phenyl‐3‐(propan‐2‐yl)‐1H‐pyrazol‐5‐ol was synthesized. The 1‐phenyl‐3‐(propan‐2‐yl)‐1H‐pyrazol‐5‐ol single crystals were grown by slow solvent evaporation technique using mixture of chloroform and methanol as a solvent. Yellowish and transparent crystals having maximum dimensions of 0.005 m × 0.004 m × 0.002 m were grown. The crystals were characterized by powder XRD, FT–IR, TG–DTA–DSC and dielectric study. The crystals remained stable up to 160 °C and then start decomposing. The DSC suggested both endothermic and exothermic reactions. One broad exothermic peak was observed at 558.1 °C due to complete decomposition of the sample into the gaseous phase and reaction within the products. Thermodynamic and Kinetic parameters of decomposition were calculated by Coats–Redfern formula. The dielectric study was carried out in the frequency range from 50 Hz to 5 MHz at room temperature. The dielectric constant decreased as the frequency of the applied field increased. The variations of dielectric loss, a.c. conductivity and a.c. resistivity also studied with the frequency of the applied field. Jonscher's power law was verified for a.c. conductivity.

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Synthesis and characterization of 1‐phenyl‐3‐(propan‐2‐yl)‐1H‐pyrazol‐5‐ol single crystals

Vyas

Akbari

Tala

et al. 2012

Cryst. Res. Technol.

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5-(4-Fluorophenyl)-2H-pyrazol-1-ium 2,2,2-trifluoroacetate

Yamuna¹,

Jasinski²,

Kaur³

et al. 2014

Acta Cryst E

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The title salt, C9H8FN2 +·C2F3O2 −, crystallizes with two independent cations (A and B) and two independent anions (C and D) in the asymmetric unit. In the cations, the dihedral angles between the benzene and pyrazolium rings are 23.7 (3)° in cation A and 1.8 (8)° in cation B. In the crystal, each anion links to the two cations via N—H⋯O hydrogen bonds, forming a U-shaped unit with an R 4 4(14) ring motif. These U-shaped units stack along the a axis and are linked via C—H⋯O and C—H⋯F hydrogen bonds, forming slabs lying parallel to (100). Within the slabs there are π–π interactions between the pyrazolium rings [inter-centroid distance = 3.6326 (15) Å] and between the benzene rings [inter-centroid distance = 3.7244 (16) Å]. In the anions, the F atoms of the trifluoromethyl groups are disordered over two sets of sites, with refined occupancy ratios of 0.58 (3):0.42, 0.540 (14):0.46 (14), and 0.55 (2):0.45 (2) for anion C, and 0.73 (5):0.27 (5), 0.63 (5):0.37 (5), and 0.57 (8):0.43 (8) for anion D.

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Ethyl 1-(4-chlorobenzyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate

Abstract: In the title compound, C19H16ClFN2O2, the pyrazole ring makes dihedral angles of 5.15 (6) and 77.72 (6)°, with the fluorophenyl and chlorophenyl rings, respectively.

Cited by 2 publications

References 6 publications

Synthesis and characterization of 1‐phenyl‐3‐(propan‐2‐yl)‐1H‐pyrazol‐5‐ol single crystals

Synthesis and characterization of 1‐phenyl‐3‐(propan‐2‐yl)‐1H‐pyrazol‐5‐ol single crystals

5-(4-Fluorophenyl)-2H-pyrazol-1-ium 2,2,2-trifluoroacetate

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Ethyl 1-(4-chlorobenzyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate

Abstract: In the title compound, C19H16ClFN2O2, the pyrazole ring makes dihedral angles of 5.15 (6) and 77.72 (6)°, with the fluoro­phenyl and chloro­phenyl rings, respectively.

Cited by 2 publications

References 6 publications

Synthesis and characterization of 1‐phenyl‐3‐(propan‐2‐yl)‐1H‐pyrazol‐5‐ol single crystals

Synthesis and characterization of 1‐phenyl‐3‐(propan‐2‐yl)‐1H‐pyrazol‐5‐ol single crystals

5-(4-Fluorophenyl)-2H-pyrazol-1-ium 2,2,2-trifluoroacetate

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Product

Resources

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Abstract: In the title compound, C19H16ClFN2O2, the pyrazole ring makes dihedral angles of 5.15 (6) and 77.72 (6)°, with the fluorophenyl and chlorophenyl rings, respectively.