2-(4-Fluorophenyl)-5-methyl-1-phenyl-1H-pyrrole

Base Information

• Chemical Name: 2-(4-Fluorophenyl)-5-methyl-1-phenyl-1H-pyrrole
• CAS No.: 634598-34-8
• Molecular Formula: C17H14FN
• Molecular Weight: 251.303
• DSSTox Substance ID: DTXSID30697144
• Nikkaji Number: J2.395.696I
• Wikidata: Q82626965

Synonyms:2-(4-Fluorophenyl)-5-methyl-1-phenyl-1H-pyrrole;634598-34-8;2-(4-FLUOROPHENYL)-5-METHYL-1-PHENYLPYRROLE;DTXSID30697144;1-Phenyl-2-(4-fluorophenyl)-5-methyl-1H-pyrrole

Chemical Property of 2-(4-Fluorophenyl)-5-methyl-1-phenyl-1H-pyrrole

Chemical Property:

• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 251.111027613
• Heavy Atom Count: 19
• Complexity: 279

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(N1C2=CC=CC=C2)C3=CC=C(C=C3)F

Technology Process of 2-(4-Fluorophenyl)-5-methyl-1-phenyl-1H-pyrrole

There total 3 articles about 2-(4-Fluorophenyl)-5-methyl-1-phenyl-1H-pyrrole 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%

carbon monoxide (201230-82-2) + 4-fluoroboronic acid (1765-93-1) + methyl vinyl ketone (78-94-4,25038-87-3) + aniline (62-53-3) → 2-(4-fluorophenyl)-5-methyl-1-phenyl-1H-pyrrole (634598-34-8)

Guidance literature:

carbon monoxide; 4-fluoroboronic acid; methyl vinyl ketone; carbonylhydridetris(triphenylphosphine)rhodium(I); In methanol; at 80 ℃; for 18h; under 15001.2 Torr;

aniline; With iodine; In tetrahydrofuran; at 40 ℃;

DOI:10.1016/j.tet.2006.09.035

Reference yield:

4-fluorobenzaldehyde (459-57-4) → 2-(4-fluorophenyl)-5-methyl-1-phenyl-1H-pyrrole (634598-34-8)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine / ethanol / 75 °C

2: aq. phosphate buffer; acetonitrile / 23 °C / pH 7.2

With triethylamine; In aq. phosphate buffer; ethanol; acetonitrile; 1: |Stetter 1,4-Dicarbonyl Synthesis / 2: |Paal-Knorr Pyrrole Synthesis;

DOI:10.1039/d0ra06962k

Reference yield:

1-(4-fluoro-phenyl)-pentane-1,4-dione (123183-95-9) + aniline (62-53-3) → 2-(4-fluorophenyl)-5-methyl-1-phenyl-1H-pyrrole (634598-34-8)

Guidance literature:

In aq. phosphate buffer; acetonitrile; at 23 ℃; pH=7.2;

DOI:10.1039/d0ra06962k

upstream raw materials:

carbon monoxide

4-fluoroboronic acid

methyl vinyl ketone

aniline

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