4-Bromo-3-(4-fluorophenyl)-1-methyl-1H-pyrazole

Base Information

• Chemical Name: 4-Bromo-3-(4-fluorophenyl)-1-methyl-1H-pyrazole
• CAS No.: 863605-34-9
• Molecular Formula: C10H8 Br F N2
• Molecular Weight: 255.089
• DSSTox Substance ID: DTXSID90697807
• Wikidata: Q82627826
• Mol file: 863605-34-9.mol

Synonyms:4-BROMO-3-(4-FLUOROPHENYL)-1-METHYL-1H-PYRAZOLE;863605-34-9;4-bromo-3-(4-fluorophenyl)-1-methylpyrazole;SCHEMBL1554588;DTXSID90697807;FKDDFQSOXYSZPZ-UHFFFAOYSA-N;MFCD09027574;CS-0232826;FT-0733861;EN300-128978;A841617;Z1269244036

Chemical Property of 4-Bromo-3-(4-fluorophenyl)-1-methyl-1H-pyrazole

Chemical Property:

• Boiling Point: 315.3±27.0 °C(Predicted)
• PKA: -0.49±0.10(Predicted)
• PSA: 17.82000
• Density: 1.53±0.1 g/cm3(Predicted)
• LogP: 2.98870
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 253.98549
• Heavy Atom Count: 14
• Complexity: 195

Purity/Quality:

97% ^*data from raw suppliers

4-Bromo-3-(4-fluorophenyl)-1-methyl-1H-pyrazole 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=C(C(=N1)C2=CC=C(C=C2)F)Br

Technology Process of 4-Bromo-3-(4-fluorophenyl)-1-methyl-1H-pyrazole

There total 6 articles about 4-Bromo-3-(4-fluorophenyl)-1-methyl-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: 94.0%

→ 4-bromo-3-(4-fluorophenyl)-1-methyl-1H-pyrazole (863605-34-9)

Guidance literature:

Reference yield: 85.0%

3-(4'-fluorophenyl)-1-methylpyrazole (863605-35-0) → 4-bromo-3-(4-fluorophenyl)-1-methyl-1H-pyrazole (863605-34-9)

Guidance literature:

With N-Bromosuccinimide; In dichloromethane; at 20 ℃; for 4h;

DOI:10.1080/00397911.2020.1791341

Reference yield: 54.9%

4-bromo-3-(4-fluorophenyl)-1H-pyrazole (474706-36-0) + methyl iodide (74-88-4) → 4-bromo-3-(4-fluorophenyl)-1-methyl-1H-pyrazole (863605-34-9)

Guidance literature:

4-bromo-3-(4-fluorophenyl)-1H-pyrazole; With sodium hydride; In N,N-dimethyl-formamide; mineral oil; at 0 - 20 ℃; Inert atmosphere;

methyl iodide; In N,N-dimethyl-formamide; mineral oil; at 0 - 20 ℃;

upstream raw materials:

3-(4-fluorophenyl)-1H-pyrazole

4-bromo-3-(4-fluorophenyl)-1H-pyrazole

methyl iodide

1-(4-fluorophenyl)ethanone

Downstream raw materials:

3-fluoro-4-(3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl)-picolinonitrile

9-(3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl)-2,3,4,5-tetrahydropyrido[2,3-f ][1,4]oxazepine

tert-butyl (2-((2-cyano-4-(3-(4-fluorophenyl)-1-methyl-1Hpyrazol-4-yl)pyridin-3-yl)oxy)ethyl)carbamate

3-(4-fluorophenyl)-1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole