5-AMINO-4-CYANO-1-(4-FLUOROPHENYL)PYRAZOLE
- Product Name
- 5-AMINO-4-CYANO-1-(4-FLUOROPHENYL)PYRAZOLE
- CAS No.
- 51516-70-2
- Chemical Name
- 5-AMINO-4-CYANO-1-(4-FLUOROPHENYL)PYRAZOLE
- Synonyms
- AKOS B029474;BUTTPARK 51\09-64;TIMTEC-BB SBB000407;5-Amino-1-(4-fluorophenyl);5-AMINO-4-CYANO-1-(4-FLUOROPHENYL)PYRAZOLE;5-Amino-4-cyano-1-(4-fluorophenyl)-1H-pyrazole;5-Amino-4-cyano-1-(4-fluorophenyl)-1H-pyrazole97%;5-Amino-4-cyano-1-(4-fluorophenyl)-1H-pyrazole 97%;5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOLE-4-CARBONITRILE;1H-Pyrazole-4-carbonitrile, 5-amino-1-(4-fluorophenyl)-
- CBNumber
- CB6663838
- Molecular Formula
- C10H7FN4
- Formula Weight
- 202.19
- MOL File
- 51516-70-2.mol
5-AMINO-4-CYANO-1-(4-FLUOROPHENYL)PYRAZOLE Property
- Melting point:
- 164-165°C
- Boiling point:
- 394.1±37.0 °C(Predicted)
- Density
- 1.36±0.1 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- -0.92±0.10(Predicted)
- form
- solid
- Appearance
- Yellow to brown Solid
- CAS DataBase Reference
- 51516-70-2(CAS DataBase Reference)
Safety
- Hazard Codes
- Xi
- Risk Statements
- 20/21/22-41
- Safety Statements
- 22-36/37/39-39-26
- RIDADR
- 3439
- WGK Germany
- 3
- Hazard Note
- Irritant
- HS Code
- 2933199090
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Danger
- Hazard statements
-
H302Harmful if swallowed
H318Causes serious eye damage
- Precautionary statements
-
P280Wear protective gloves/protective clothing/eye protection/face protection.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
N-Bromosuccinimide Price
- Product number
- JRD0041
- Product name
- 5-Amino-1-(4-fluorophenyl)-1H-pyrazole-4-carbonitrile
- Purity
- Aldrich
- Packaging
- 1g
- Price
- $107
- Updated
- 2025/07/31
- Product number
- A602185
- Product name
- 5-Amino-1-(4-fluorophenyl)pyrazole-4-carbonitrile
- Packaging
- 500mg
- Price
- $110
- Updated
- 2021/12/16
- Product number
- FA54002
- Product name
- 5-Amino-4-cyano-1-(4-fluorophenyl)pyrazole
- Packaging
- 250mg
- Price
- $65
- Updated
- 2021/12/16
- Product number
- FA54002
- Product name
- 5-Amino-4-cyano-1-(4-fluorophenyl)pyrazole
- Packaging
- 500mg
- Price
- $100
- Updated
- 2021/12/16
- Product number
- FA54002
- Product name
- 5-Amino-4-cyano-1-(4-fluorophenyl)pyrazole
- Packaging
- 1g
- Price
- $160
- Updated
- 2021/12/16
5-AMINO-4-CYANO-1-(4-FLUOROPHENYL)PYRAZOLE Chemical Properties,Usage,Production
Uses
5-Amino-1-(4-fluorophenyl)pyrazole-4-carbonitrile was used in the preparation of compounds that were shown to have anti-viral activity against TMV.
Synthesis
371-14-2
123-06-8
51516-70-2
GENERAL METHOD: (4-Fluorophenyl)hydrazine (0.001 mol) was mixed with 10 mL of ethanol, stirred and heated to reflux. Subsequently, ethoxymethylene malononitrile (0.001 mol) dissolved in 10 mL of ethanol was added slowly and dropwise. The reaction mixture was kept at reflux for 2 hours. After completion of the reaction, the mixture was poured into 50 mL of ice water. The precipitate was collected by filtration and washed with cold water to afford 5-amino-1-(4-fluorophenyl)-1H-pyrazole-4-carbonitrile (10a) in 61% yield. The product characterization data were as follows: melting point: 173-174 °C. IR (cm^-1): 3297-3183 (NH2); 2225 (CN); 1662; 1568. ^1H NMR (400 MHz, DMSO-d6, TMS, δ in ppm): 7.31-7.25 (m, 2H, H3', H5'); 7.54- 7.49 (m, 2H, H2', H6'); 7.67 (s, 1H, H3). ^13C NMR (100 MHz, DMSO-d6, TMS, δ in ppm): 73.2 (C4); 114.8 (CN); 116.3 (d, J = 22.8 Hz, C3', C5'); 126.9 (d, J = 8.9 Hz, C2', C6'); 133.7 (d, J = 2.8 Hz, C1'); 141.7 (C5); 151.4 (C3); 161.2 (d, J = 243.6 Hz, C4'). ^19F NMR (376 MHz, DMSO-d6, TMS, δ in ppm): -114.26. EI-MS [M + 1]^+: 203.07.
References
[1] European Journal of Organic Chemistry, 2018, vol. 2018, # 13, p. 1514 - 1524
[2] Tetrahedron Letters, 2008, vol. 49, # 2, p. 305 - 310
[3] Medicinal Chemistry Research, 2018, vol. 27, # 8, p. 1876 - 1884
[4] Journal of Medicinal Chemistry, 1991, vol. 34, # 9, p. 2892 - 2898
[5] Organic and Biomolecular Chemistry, 2007, vol. 5, # 17, p. 2758 - 2761
5-AMINO-4-CYANO-1-(4-FLUOROPHENYL)PYRAZOLE Preparation Products And Raw materials
Raw materials
Preparation Products
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