1-(2,4-Difluorophenyl)-1h-pyrrole

Base Information

• Chemical Name: 1-(2,4-Difluorophenyl)-1h-pyrrole
• CAS No.: 125126-63-8
• Molecular Formula: C10H7F2N
• Molecular Weight: 179.169
• European Community (EC) Number: 603-032-9
• DSSTox Substance ID: DTXSID601016723
• Nikkaji Number: J1.335.240B
• Mol file: 125126-63-8.mol

Synonyms:1-(2,4-difluorophenyl)-1h-pyrrole;125126-63-8;1-(2,4-difluorophenyl)pyrrole;1H-Pyrrole, 1-(2,4-difluorophenyl)-;CDS1_000615;Maybridge1_002903;DivK1c_001655;SCHEMBL172523;HMS549L21;DTXSID601016723;STL381763;AKOS000285828;SB63082;CS-0357618;F12485;A855119

Chemical Property of 1-(2,4-Difluorophenyl)-1h-pyrrole

Chemical Property:

• Vapor Pressure: 0.13mmHg at 25°C
• Boiling Point: 225.3±30.0 °C(Predicted)
• PKA: -6.66±0.70(Predicted)
• PSA: 4.93000
• Density: 1.17±0.1 g/cm3(Predicted)
• LogP: 2.75550
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 179.05465555
• Heavy Atom Count: 13
• Complexity: 168

Purity/Quality:

98% ^*data from raw suppliers

1-(2,4-Difluorophenyl)-1H-pyrrole 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN(C=C1)C2=C(C=C(C=C2)F)F

Technology Process of 1-(2,4-Difluorophenyl)-1h-pyrrole

There total 3 articles about 1-(2,4-Difluorophenyl)-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: 95.0%

furan (110-00-9) + 2,4-difluorophenylamine (367-25-9,76563-56-9) → 1-(2,4-difluorophenyl)-1H-pyrrole (125126-63-8)

Guidance literature:

With sulfonated polystyrene microspheres catalyst; In N,N-dimethyl-formamide; at 60 ℃; for 15h; Temperature; Solvent; Sealed tube; Green chemistry;

Reference yield: 85.0%

cis,trans-2,5-dimethoxytetrahydrofuran (696-59-3) + 2,4-difluorophenylamine (367-25-9,76563-56-9) → 1-(2,4-difluorophenyl)-1H-pyrrole (125126-63-8)

Guidance literature:

With ionic liquid immobilized on γ-Fe₂O₃(at)SiO₂ nanoparticles; In water; at 100 ℃; for 1.33333h;

DOI:10.1016/j.apcata.2013.03.005

Reference yield: 20.0%

pyrrole (109-97-7,30604-81-0) + 2,4-difluoro-1-iodobenzene (2265-93-2) → 1-(3-fluoro-4-iodophenyl)-1H-pyrrole (1114295-61-2) + 1-(5-fluoro-2-iodophenyl)-1H-pyrrole (1114295-58-7) + 1-(2,4-difluorophenyl)-1H-pyrrole (125126-63-8)

Guidance literature:

With copper(I) oxide; salicylaldehyde-oxime; caesium carbonate; In acetonitrile; at 80 ℃; for 12h; regioselective reaction;

DOI:10.1016/j.tet.2008.11.036

upstream raw materials:

cis,trans-2,5-dimethoxytetrahydrofuran

2,4-difluorophenylamine

pyrrole

2,4-difluoro-1-iodobenzene

Downstream raw materials:

1-(2,4-Difluoro-phenyl)-1H-pyrrole-2-carbaldehyde

7-fluoro-4-chloropyrrolo[1,2-a]quinoxaline

7-fluoropyrrolo<1,2-a>quinoxalin-4(5H)-one

Refernces

• 1、 Ma, Fei-Ping,Li, Pei-He,Li, Bao-Le,Mo, Li-Ping,Liu, Ning,Kang, Hui-Jun,Liu, Ya-Nan,Zhang, Zhan-Hui. "A recyclable magnetic nanoparticles supported antimony catalyst for the synthesis of N-substituted pyrroles in water". . p. 34 - 41. Retrieved 2013/06/26.
• 2、 Jitchati, Rukkiat,Batsanov, Andrei S.,Bryce, Martin R.. "N-Arylation of nitrogen heterocycles with 2,4-difluoroiodobenzene". experimental part. p. 855 - 861. Retrieved 2009/04/07.