5-(4-fluorophenyl)-1-phenyl-1H-pyrazole

Base Information

• Chemical Name: 5-(4-fluorophenyl)-1-phenyl-1H-pyrazole
• CAS No.: 439289-13-1
• Molecular Formula: C₁₅H₁₁FN₂
• Molecular Weight: 238.264
• DSSTox Substance ID: DTXSID701280004
• Nikkaji Number: J3.450.622A
• ChEMBL ID: CHEMBL1710260
• Mol file: 439289-13-1.mol

Synonyms:5-(4-fluorophenyl)-1-phenyl-1H-pyrazole;439289-13-1;5-(4-fluorophenyl)-1-phenylpyrazole;MLS001165960;CHEMBL1710260;SCHEMBL15503778;DTXSID701280004;HMS2867E16;AKOS005079332;SMR000550224;1-Phenyl-5-(4-fluorophenyl)-1H-pyrazole;5-(4-fluorophenyl)-1 phenyl-1h-pyrazole;11T-0672

Chemical Property of 5-(4-fluorophenyl)-1-phenyl-1H-pyrazole

Chemical Property:

• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 238.09062652
• Heavy Atom Count: 18
• Complexity: 257

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)N2C(=CC=N2)C3=CC=C(C=C3)F

Technology Process of 5-(4-fluorophenyl)-1-phenyl-1H-pyrazole

There total 3 articles about 5-(4-fluorophenyl)-1-phenyl-1H-pyrazole which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 83.0%

3-(dimethylamino)-1-(4-fluorophenyl)prop-2-en-1-one (75175-77-8) + phenylhydrazine (100-63-0) → 5-(4-fluorophenyl)-1-phenyl-1H-pyrazole (439289-13-1)

Guidance literature:

With C₂₄H₃₅N₂O₆⁽¹⁺⁾*HO₄S^(1-); at 50 ℃; for 0.333333h; Green chemistry;

DOI:10.1007/s11164-014-1782-7

Reference yield: 62.0%

(E)-1-phenyl-2-((E)-3-(4-fluorophenyl)allylidene)hydrazone → 5-(4-fluorophenyl)-1-phenyl-1H-pyrazole (439289-13-1) + 2-[5-(4-fluorophenyl)pyrazol-1-yl]phenol

Guidance literature:

With oxone; In trifluoroacetic acid; at 0 ℃; for 2h; regioselective reaction;

DOI:10.1016/j.tet.2015.11.035

Reference yield:

trans-4-fluorocinnamaldehyde (24654-55-5,51791-26-5,213617-57-3) + phenylhydrazine (100-63-0) → 5-(4-fluorophenyl)-1-phenyl-1H-pyrazole (439289-13-1)

Guidance literature:

Multi-step reaction with 2 steps

1: methanol / 0.17 h / 20 °C

2: oxone / trifluoroacetic acid / 2 h / 0 °C

With oxone; In methanol; trifluoroacetic acid;

DOI:10.1016/j.tet.2015.11.035

upstream raw materials:

3-(dimethylamino)-1-(4-fluorophenyl)prop-2-en-1-one

phenylhydrazine

trans-4-fluorocinnamaldehyde