1-(2,4,5-Triphenyl-1h-pyrrol-3-yl)ethanone

Base Information

• Chemical Name: 1-(2,4,5-Triphenyl-1h-pyrrol-3-yl)ethanone
• CAS No.: 13901-75-2
• Molecular Formula: C24H19NO
• Molecular Weight: 337.421
• NSC Number: 131525
• DSSTox Substance ID: DTXSID00299593
• Nikkaji Number: J3.050.289B
• Wikidata: Q82042073

Synonyms:13901-75-2;1-(2,4,5-triphenyl-1h-pyrrol-3-yl)ethanone;NSC131525;DTXSID00299593;NSC-131525

Chemical Property of 1-(2,4,5-Triphenyl-1h-pyrrol-3-yl)ethanone

Chemical Property:

• Vapor Pressure: 1.68E-11mmHg at 25°C
• Boiling Point: 534.5°Cat760mmHg
• Flash Point: 275.7°C
• Density: 1.143g/cm³
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 337.146664230
• Heavy Atom Count: 26
• Complexity: 457

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=C(NC(=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

Technology Process of 1-(2,4,5-Triphenyl-1h-pyrrol-3-yl)ethanone

There total 5 articles about 1-(2,4,5-Triphenyl-1h-pyrrol-3-yl)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: 90.0%

2-hydroxy-2-phenylacetophenone (119-53-9,579-44-2) + 1-phenylbutan-1,3-dione (93-91-4) → 1-(2,4,5-Triphenyl-1H-pyrrol-3-yl)-ethanone (13901-75-2)

Guidance literature:

With ammonium acetate; In ethanol; water; at 55 - 65 ℃; for 0.833333h; regioselective reaction;

DOI:10.1055/s-0034-1379881

Reference yield: 87.0%

2-hydroxy-2-phenylacetophenone (119-53-9,579-44-2) + acetylacetone (123-54-6,81235-32-7) → 1-(2,4,5-Triphenyl-1H-pyrrol-3-yl)-ethanone (13901-75-2)

Guidance literature:

With dioxo[bis(sulfato-κO)]molybdenum; ammonium acetate; at 80 ℃; for 0.75h; Neat (no solvent);

DOI:10.1016/j.molcata.2012.01.003

Reference yield: 56.0%

1-phenylbutan-1,3-dione (93-91-4) + 2,3-diphenyl-2H-azirine (16483-98-0) → 1-(2,4,5-Triphenyl-1H-pyrrol-3-yl)-ethanone (13901-75-2) + (2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)(phenyl)methanone (1388180-73-1)

Guidance literature:

With nickel diacetate; In acetonitrile; at 60 ℃;

DOI:10.1016/j.tetlet.2020.152319

upstream raw materials:

2-hydroxy-2-phenylacetophenone

acetylacetone

1-phenylbutan-1,3-dione

benzaldehyde

Downstream raw materials:

(2,4,5-triphenyl-pyrrol-3-yl)-glyoxal

1-(2,4,5-triphenyl-pyrrol-3-yl)-ethanone oxime

2,4,5-triphenylpyrrole

2,4,5-triphenyl-pyrrole-3-carboxylic acid

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