1-[4-(trifluoromethyl)phenyl]-1H-pyrrole

Base Information

• Chemical Name: 1-[4-(trifluoromethyl)phenyl]-1H-pyrrole
• CAS No.: 92636-38-9
• Molecular Formula: C11H8 F3 N
• Molecular Weight: 211.186
• Hs Code.: 2933998090
• DSSTox Substance ID: DTXSID50380788
• Nikkaji Number: J1.113.324J
• Wikidata: Q82171236
• Mol file: 92636-38-9.mol

Synonyms:1-[4-(trifluoromethyl)phenyl]-1H-pyrrole;92636-38-9;1-[4-(trifluoromethyl)phenyl]pyrrole;1-(4-(Trifluoromethyl)phenyl)-1H-pyrrole;Maybridge1_008121;SCHEMBL2238653;HMS564J03;DTXSID50380788;JFGOCJGHXODFKU-UHFFFAOYSA-N;AMY25817;BBL020950;MFCD01567129;STK893656;AKOS001476986;AS-64803;CS-0325767;FT-0607149;D96080;EN300-180062;A844297

Chemical Property of 1-[4-(trifluoromethyl)phenyl]-1H-pyrrole

Chemical Property:

• Vapor Pressure: 0.0605mmHg at 25°C
• Melting Point: 107-111
• Refractive Index: 1.5
• Boiling Point: 239.9°C at 760 mmHg
• Flash Point: 98.9°C
• PSA: 4.93000
• Density: 1.18g/cm³
• LogP: 3.49610
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 211.06088375
• Heavy Atom Count: 15
• Complexity: 200

Purity/Quality:

97% ^*data from raw suppliers

1-[4-(Trifluoromethyl)phenyl]-1H-pyrrole 95% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-[4-(trifluoromethyl)phenyl]-1H-pyrrole

There total 10 articles about 1-[4-(trifluoromethyl)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: 96.0%

pyrrole (109-97-7,30604-81-0) + 4-Iodobenzotrifluoride (455-13-0) → 1-<(4-trifluoromethyl)phenyl>pyrrole (92636-38-9)

Guidance literature:

With potassium phosphate; copper(l) iodide; N,N`-dimethylethylenediamine; In N,N-dimethyl-formamide; at 120 ℃; for 24h; Inert atmosphere;

DOI:10.3762/bjoc.11.160

Reference yield: 95.0%

pyrrole (109-97-7,30604-81-0) + 4-chlorobenzotrifluoride (98-56-6) → 1-<(4-trifluoromethyl)phenyl>pyrrole (92636-38-9)

Guidance literature:

With copper(l) iodide; potassium carbonate; In N,N-dimethyl-formamide; at 20 - 110 ℃;

DOI:10.1021/jo901462g

Reference yield: 90.0%

cis,trans-2,5-dimethoxytetrahydrofuran (696-59-3) + 4-trifluoromethylphenylamine (455-14-1) → 1-<(4-trifluoromethyl)phenyl>pyrrole (92636-38-9)

Guidance literature:

With L-(+)-tartaric acid-choline chloride based deep eutectic solvent; at 90 ℃; for 1.5h; Green chemistry;

DOI:10.1016/j.molliq.2014.07.015

upstream raw materials:

pyrrole

4-chlorobenzotrifluoride

1-(4-chlorophenyl)-1H-pyrrole

(trifluoromethyl)triethylsilane

Downstream raw materials:

1-(4(-trifluoromethyl)phenyl)pyrrolidine