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

Base Information

• Chemical Name: 3-(4-Fluorophenyl)-1H-pyrazole
• CAS No.: 154258-82-9
• Molecular Formula: C9H7 F N2
• Molecular Weight: 162.166
• Hs Code.: 2933199090
• European Community (EC) Number: 626-856-0
• DSSTox Substance ID: DTXSID10934963
• Nikkaji Number: J1.273.908G,J2.607.331F
• Wikidata: Q72476375
• Mol file: 154258-82-9.mol

Synonyms:3-(4-Fluorophenyl)-1H-pyrazole;154258-82-9;3-(4-Fluorophenyl)Pyrazole;5-(4-fluorophenyl)-1H-pyrazole;1185742-22-6;5-(4-fluoro-phenyl)-1h-pyrazole;3-(4-fluoro-phenyl)-1h-pyrazole;MFCD00665857;1H-Pyrazole, 3-(4-fluorophenyl)-;4-fluoro phenylpyrazole;SCHEMBL104517;DTXSID10934963;5-(4-FLUOROPHENYL)PYRAZOLE;BBL013109;STK350510;AKOS000313110;AKOS000345350;AB28514;FS-1114;NCGC00339707-01;3-(4-Fluorophenyl)-1H-pyrazole, 97%;AC-36908;SY062621;AM20030049;BB 0253953;CS-0037472;FT-0646928;EN300-64540;I12013;AB01332091-02;A935239;J-510710;Z336079900

Chemical Property of 3-(4-Fluorophenyl)-1H-pyrazole

Chemical Property:

• Vapor Pressure: 0.000254mmHg at 25°C
• Melting Point: 100-102°C
• Boiling Point: 334.1°Cat760mmHg
• PKA: 13.04±0.10(Predicted)
• Flash Point: 155.8°C
• PSA: 28.68000
• Density: 1.242g/cm³
• LogP: 2.21580
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 162.05932639
• Heavy Atom Count: 12
• Complexity: 144

Purity/Quality:

97% ^*data from raw suppliers

5-(4-Fluorophenyl)-1H-pyrazole ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,Xn
• Statements: 22-37/38-41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=CC=NN2)F
• Uses: 3-(4-Fluorophenyl)-1H-pyrazole is used as pharmaceutical intermediates.

Technology Process of 3-(4-Fluorophenyl)-1H-pyrazole

There total 15 articles about 3-(4-Fluorophenyl)-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: 90.0%

3-(dimethylamino)-1-(4-fluorophenyl)prop-2-en-1-one (75175-77-8) → 5(3)-(4-fluorophenyl)-1H-pyrazole (1185742-22-6,154258-82-9)

Guidance literature:

With C₂₄H₃₅N₂O₆⁽¹⁺⁾*HO₄S^(1-); hydrazine hydrate; at 50 ℃; for 0.166667h; Reagent/catalyst; Solvent; Temperature; Catalytic behavior; Green chemistry;

DOI:10.1007/s11164-014-1782-7

Reference yield: 85.0%

3-(4-fluoro-phenyl)-prop-2-yn-1-ol (80151-28-6) → 3-(4-fluorophenyl)-1H-pyrazole (154258-82-9)

Guidance literature:

With N-iodo-succinimide; trifluorormethanesulfonic acid; acetic acid hydrazide; In 1,2-dichloro-ethane; at 83 ℃; for 5h; Sealed tube;

Reference yield: 76.0%

C16H15FN2O2S → 3-(4-fluorophenyl)-1H-pyrazole (154258-82-9)

Guidance literature:

With sodium hydroxide; at 100 ℃; for 4h; Microwave irradiation; Inert atmosphere;

DOI:10.1002/ejoc.202000066

upstream raw materials:

1-(2-furyl)-1-ethanone

1-(4-fluorophenyl)ethanone

N,N-dimethyl-formamide dimethyl acetal

1-(4-fluorophenyl)-3,3-diethoxyprop-1-yne

Downstream raw materials:

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

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