4-(4-bromophenyl)-2-phenyl-1H-pyrrole

Base Information

• Chemical Name: 4-(4-bromophenyl)-2-phenyl-1H-pyrrole
• CAS No.: 862201-35-2
• Molecular Formula: C16H12 Br N
• Molecular Weight: 298.182
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID00457378
• Wikidata: Q82280216
• Mol file: 862201-35-2.mol

Synonyms:4-(4-bromophenyl)-2-phenyl-1H-pyrrole;862201-35-2;4-(p-Bromophenyl)-2-phenylpyrrole;4-(4-Bromophenyl)-2-phenylpyrrole;DTXSID00457378;SB63351;A914998

Chemical Property of 4-(4-bromophenyl)-2-phenyl-1H-pyrrole

Chemical Property:

• PSA: 15.79000
• LogP: 5.11120
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 297.01531
• Heavy Atom Count: 18
• Complexity: 254

Purity/Quality:

97% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CC(=CN2)C3=CC=C(C=C3)Br

Technology Process of 4-(4-bromophenyl)-2-phenyl-1H-pyrrole

There total 8 articles about 4-(4-bromophenyl)-2-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%

3-(4-bromophenyl)-4-nitro-1-phenylbutan-1-one (219607-51-9) → 4-(4-bromophenyl)-2-phenyl-1H-pyrrole (862201-35-2)

Guidance literature:

With morpholine; sulfur; ammonium acetate; In neat (no solvent); at 80 ℃; for 0.5h;

DOI:10.1055/s-0035-1561852

Reference yield: 78.0%

1-(p-bromophenyl)-3-phenyl-3-[(prop-2-yn-1-yl)amino]prop-2-en-1-one → 4-(4-bromophenyl)-2-phenyl-1H-pyrrole (862201-35-2)

Guidance literature:

With potassium carbonate; In 1-methyl-pyrrolidin-2-one; at 90 ℃; for 12h; Schlenk technique;

DOI:10.1039/c8gc01675e

Reference yield: 78.0%

→ 4-(4-bromophenyl)-2-phenyl-1H-pyrrole (862201-35-2)

Guidance literature:

With potassium carbonate; In N,N-dimethyl acetamide; at 140 ℃; for 24h;

upstream raw materials:

(2E)-3-(4-bromophenyl)-1-phenylprop-2-en-1-one

4-bromo-benzaldehyde

acetophenone

3-(4-bromophenyl)-4-nitro-1-phenylbutan-1-one