1-[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2,2,2-trifluoro-1-ethanone

Base Information

• Chemical Name: 1-[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2,2,2-trifluoro-1-ethanone
• CAS No.: 95337-69-2
• Molecular Formula: C₁₄H₁₁BrF₃NO
• Molecular Weight: 346.147
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID50364942
• Wikidata: Q82149182
• Mol file: 95337-69-2.mol

Synonyms:95337-69-2;1-[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2,2,2-trifluoro-1-ethanone;1-(1-(4-Bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)-2,2,2-trifluoroethanone;1-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2,2,2-trifluoroethanone;1-[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2,2,2-trifluoroethan-1-one;1-[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2,2,2-trifluoroethanone;1-(1-(4-Bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)-2,2,2-trifluoroethan-1-one;1-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2,2,2-trifluoro-ethanone;DTXSID50364942;1-[1-(4-BROMOPHENYL)-2,5-DIMETHYL-1H-PYRROL-3-YL]-;MFCD00268899;AKOS005070812;SB62538;CS-0321649;FT-0642303;6X-0715;A845281;AG-219/34819053;J-502829;1-[1-(4-Bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2,2,2-trifluoro1-ethanone

Chemical Property of 1-[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2,2,2-trifluoro-1-ethanone

Chemical Property:

• Vapor Pressure: 8.23E-06mmHg at 25°C
• Melting Point: 79-82°C
• Boiling Point: 374.6°Cat760mmHg
• Flash Point: 180.4°C
• PSA: 22.00000
• Density: 1.47g/cm³
• LogP: 4.60160
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 344.99761
• Heavy Atom Count: 20
• Complexity: 366

Purity/Quality:

97% ^*data from raw suppliers

1-[1-(4-Bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2,2,2-trifluoroethanone ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2,2,2-trifluoro-1-ethanone

There total 3 articles about 1-[1-(4-bromophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2,2,2-trifluoro-1-ethanone 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: 73.0%

1-(4-Bromo-phenyl)-2,5-dimethyl-1H-pyrrole (5044-24-6) + trifluoroacetic anhydride (407-25-0) → 1-[1-(4-Bromo-phenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2,2,2-trifluoro-ethanone (95337-69-2)

Guidance literature:

In benzene; for 4h; Heating;

Reference yield:

2,5-hexanedione (110-13-4) → 1-[1-(4-Bromo-phenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2,2,2-trifluoro-ethanone (95337-69-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 96 percent / AcOH / benzene / 4 h / Heating

2: 73 percent / benzene / 4 h / Heating

With acetic acid; In benzene;

Reference yield:

4-bromo-aniline (106-40-1) → 1-[1-(4-Bromo-phenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2,2,2-trifluoro-ethanone (95337-69-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 96 percent / AcOH / benzene / 4 h / Heating

2: 73 percent / benzene / 4 h / Heating

With acetic acid; In benzene;

upstream raw materials:

1-(4-Bromo-phenyl)-2,5-dimethyl-1H-pyrrole

trifluoroacetic anhydride

2,5-hexanedione

4-bromo-aniline

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