4-[4-(4-Fluorophenyl)-2-[4-(methylthio)phenyl]-1H-imidazol-5-yl]pyridine

Base Information

• Chemical Name: 4-[4-(4-Fluorophenyl)-2-[4-(methylthio)phenyl]-1H-imidazol-5-yl]pyridine
• CAS No.: 152121-44-3
• Molecular Formula: C21H16FN3S
• Molecular Weight: 361.443
• DSSTox Substance ID: DTXSID50431709
• Nikkaji Number: J2.382.029C
• Wikidata: Q82245668
• Pharos Ligand ID: 2C49SPTPH637
• ChEMBL ID: CHEMBL17370
• Mol file: 152121-44-3.mol

Synonyms:152121-44-3;4-[4-(4-Fluorophenyl)-2-[4-(methylthio)phenyl]-1H-imidazol-5-yl]pyridine;4-[4-(4-fluorophenyl)-2-(4-methylsulfanylphenyl)-1H-imidazol-5-yl]pyridine;CHEMBL17370;4-[5-(4-Fluorophenyl)-2-[4-(methylthio)phenyl]-1H-imidazol-4-yl]pyridine;4-(4-(4-Fluorophenyl)-2-(4-(methylthio)phenyl)-1H-imidazol-5-yl)pyridine;Kinome_3427;SCHEMBL1388020;SCHEMBL22170123;DTXSID50431709;BDBM50075778;FT-0668718;2-[4-(Methylthio)phenyl]-4-(4-fluorophenyl)-5-(4-pyridinyl)-1H-imidazole;4-(4-fluorophenyl)-2-(4-methylthiophenyl)-5-(4-pyridyl)-1h-imidazole;4-(4-fluorophenyl)-2-(4methylthiophenyl)-5-(4-pyridyl)-1h-imidazole;4-[5-(4-Fluoro-phenyl)-2-(4-methylsulfanyl-phenyl)-1H-imidazol-4-yl]-pyridine;4-[5-(4-Fluoro-phenyl)-2-(4-methylsulfanyl-phenyl)-3H-imidazol-4-yl]-pyridine

Chemical Property of 4-[4-(4-Fluorophenyl)-2-[4-(methylthio)phenyl]-1H-imidazol-5-yl]pyridine

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 220-222°C
• Boiling Point: 560.875oC at 760 mmHg
• Flash Point: 293.007oC
• PSA: 66.87000
• Density: 1.346g/cm3
• LogP: 5.66670
• Storage Temp.: Refrigerator
• Solubility.: Acetone, DMSO, Methanol
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 361.10489686
• Heavy Atom Count: 26
• Complexity: 429

Purity/Quality:

97% ^*data from raw suppliers

4-[4-(4-Fluorophenyl)-2-[4-(methylthio)phenyl]-1H-imidazol-5-yl]pyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC=C(C=C4)F
• Uses: Potential inhibitor of glucagon receptors, also used in the synthesis of p38 MAP kinase inhibitors Potential inhibitor of glucagon receptors, 4-[4-(4-Fluorophenyl)-2-[4-(methylthio)phenyl]-1H-imidazol-5-yl]pyridine can be also used in the synthesis of p38 MAP kinase inhibitors

Technology Process of 4-[4-(4-Fluorophenyl)-2-[4-(methylthio)phenyl]-1H-imidazol-5-yl]pyridine

There total 6 articles about 4-[4-(4-Fluorophenyl)-2-[4-(methylthio)phenyl]-1H-imidazol-5-yl]pyridine 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: 44.0%

4-(Methylthio)benzaldehyde (3446-89-7) + 2-(tert-butyldimethyl-silyloxy)-1-(4-fluorophenyl)-2-pyridin-4-yl-ethanone (152122-41-3) → 4-(4-Fluorophenyl)-2-(4-methylthiophenyl)-5-(pyridin-4-yl)-1H-imidazole (152121-44-3)

Guidance literature:

With copper diacetate; ammonium acetate; acetic acid; at 98 ℃; for 0.666667h;

DOI:10.1016/S0968-0896(96)00212-X

Reference yield:

4-fluoro-N-methoxy-N-methylbenzamide (116332-54-8) → 4-(4-Fluorophenyl)-2-(4-methylthiophenyl)-5-(pyridin-4-yl)-1H-imidazole (152121-44-3)

Guidance literature:

Multi-step reaction with 2 steps

1.1: LDA / tetrahydrofuran / -30 °C

1.2: tetrahydrofuran / -30 - 0 °C

2.1: Cu(OAc)2; NH₄OAc; HOAc / 4 h / 115 °C

With copper diacetate; ammonium acetate; acetic acid; lithium diisopropyl amide; In tetrahydrofuran;

DOI:10.1016/S0960-894X(01)00498-X

Reference yield:

4-((tert-butyldimethylsilyloxy)methyl)pyridine (117423-41-3) → 4-(4-Fluorophenyl)-2-(4-methylthiophenyl)-5-(pyridin-4-yl)-1H-imidazole (152121-44-3)

Guidance literature:

Multi-step reaction with 2 steps

1.1: LDA / tetrahydrofuran / -30 °C

1.2: tetrahydrofuran / -30 - 0 °C

2.1: Cu(OAc)2; NH₄OAc; HOAc / 4 h / 115 °C

With copper diacetate; ammonium acetate; acetic acid; lithium diisopropyl amide; In tetrahydrofuran;

DOI:10.1016/S0960-894X(01)00498-X

upstream raw materials:

4-(Methylthio)benzaldehyde

2-(tert-butyldimethyl-silyloxy)-1-(4-fluorophenyl)-2-pyridin-4-yl-ethanone

4-fluoro-N-methoxy-N-methylbenzamide

4-((tert-butyldimethylsilyloxy)methyl)pyridine

Downstream raw materials:

4-[4-(4-fluorophenyl)-2-(4-methylsulfinylphenyl)-1H-imidazol-5-yl]pyridine

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