1-[3-(trifluoromethyl)phenyl]-1H-pyrrole

Base Information

• Chemical Name: 1-[3-(trifluoromethyl)phenyl]-1H-pyrrole
• CAS No.: 53871-26-4
• Molecular Formula: C11H8F3N
• Molecular Weight: 211.186
• DSSTox Substance ID: DTXSID70968643
• Nikkaji Number: J1.113.323A
• Wikidata: Q82951504
• Mol file: 53871-26-4.mol

Synonyms:1-[3-(trifluoromethyl)phenyl]-1H-pyrrole;53871-26-4;1-[3-(trifluoromethyl)phenyl]pyrrole;1-(3-(Trifluoromethyl)phenyl)-1H-pyrrole;CDS1_000449;Maybridge1_002737;Pyrrole, 1-(alpha,alpha,alpha-trifluoro-m-tolyl)-;DivK1c_001489;HMS549E09;DTXSID70968643;WEOYJGQSAGJWQH-UHFFFAOYSA-N;BBL022265;MFCD00118895;STK197056;AKOS000331677;CCG-242062;CS-0192134;EU-0053423;E89402;SR-01000539779;SR-01000539779-1;Pyrrole, 1-(.alpha.,.alpha.,.alpha.-trifluoro-m-tolyl)-,

Chemical Property of 1-[3-(trifluoromethyl)phenyl]-1H-pyrrole

Chemical Property:

• Vapor Pressure: 0.0403mmHg at 25°C
• Melting Point: 48-50℃
• Boiling Point: 247.5°Cat760mmHg
• Flash Point: 103.5°C
• PSA: 4.93000
• Density: 1.18g/cm³
• LogP: 3.49610
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 211.06088375
• Heavy Atom Count: 15
• Complexity: 208

Purity/Quality:

98%+ ^*data from raw suppliers

1-[3-(Trifluoromethyl)phenyl]-1H-pyrrole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-[3-(trifluoromethyl)phenyl]-1H-pyrrole

There total 6 articles about 1-[3-(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: 90.0%

cis,trans-2,5-dimethoxytetrahydrofuran (696-59-3) + 3-trifluoromethylaniline (98-16-8) → 1-<(3-trifluoromethyl)phenyl>pyrrole (53871-26-4)

Guidance literature:

With montmorillonite K-10; at 100 ℃; for 0.05h; microwave irradiation;

DOI:10.1080/00304940609356444

Reference yield: 82.0%

cis,trans-2,5-dimethoxytetrahydrofuran (696-59-3) + 3-trifluoromethylaniline (98-16-8) → 1-<(3-trifluoromethyl)phenyl>pyrrole (53871-26-4) + 1-(3-(trifluoromethyl)phenyl)pyrrolidine

Guidance literature:

With sodium tetrahydroborate; sulfuric acid; water; In tetrahydrofuran; methanol; at 10 - 20 ℃; for 1.5h; Yield given;

DOI:10.1055/s-1999-3685

Reference yield: 77.0%

1,4-butenediol (6117-80-2) + 3-trifluoromethylaniline (98-16-8) + 4-methoxy-aniline (104-94-9) → 1-(p-methoxyphenyl)pyrrole (5145-71-1) + 1-<(3-trifluoromethyl)phenyl>pyrrole (53871-26-4)

Guidance literature:

With [2,2]bipyridinyl; sodium carbonate; nickel dichloride; In toluene; at 140 ℃; for 36h; Inert atmosphere; Schlenk technique;

DOI:10.1021/acs.joc.8b02666

upstream raw materials:

cis,trans-2,5-dimethoxytetrahydrofuran

3-trifluoromethylaniline

1,4-butenediol

4-methoxy-aniline

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 53871-26-4 1-[3-(TrifluoroMethyl)phenyl]pyrrole, 98%

Send

Send

Metric Ton KG G Pound L ML

Send

Send