2-phenyl-1-(1H-pyrrol-2-yl)ethanone

Base Information

• Chemical Name: 2-phenyl-1-(1H-pyrrol-2-yl)ethanone
• CAS No.: 13169-74-9
• Molecular Formula: C12H11NO
• Molecular Weight: 185.225
• DSSTox Substance ID: DTXSID20541086
• Nikkaji Number: J3.305.002J
• Wikidata: Q82417316
• Mol file: 13169-74-9.mol

Synonyms:13169-74-9;2-phenyl-1-(1H-pyrrol-2-yl)ethanone;phenylacetylpyrrole;2-Phenylacetylpyrrole;SCHEMBL6126593;DTXSID20541086;STFMKWCNBOPACP-UHFFFAOYSA-N;AKOS013061013;2-Phenyl-1-(1H-pyrrol-2-yl)ethan-1-one

Chemical Property of 2-phenyl-1-(1H-pyrrol-2-yl)ethanone

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 185.084063974
• Heavy Atom Count: 14
• Complexity: 197

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-phenyl-1-(1H-pyrrol-2-yl)ethanone

There total 10 articles about 2-phenyl-1-(1H-pyrrol-2-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: 89.0%

phenylacetic acid (103-82-2) + pyrrole (109-97-7,30604-81-0) → 2-phenyl-1-(1H-pyrrol-2-yl)ethanone (13169-74-9)

Guidance literature:

With silica gel supported aluminium trichloride; at 60 ℃; for 2.3h; regioselective reaction;

DOI:10.3906/kim-0912-359

Reference yield: 86.0%

pyrrole (109-97-7,30604-81-0) + phenylacetyl chloride (103-80-0) → 2-phenyl-1-(1H-pyrrol-2-yl)ethanone (13169-74-9)

Guidance literature:

With zinc(II) oxide; In neat (no solvent); at 20 ℃; for 0.0666667h; regioselective reaction; Green chemistry;

DOI:10.3184/174751913X13734615005971

Reference yield: 84.0%

2-phenyl-1-pyrrol-2-yl-ethanol (857426-52-9) → 2-phenyl-1-(1H-pyrrol-2-yl)ethanone (13169-74-9)

Guidance literature:

With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; copper diacetate; In water; acetonitrile; at 20 ℃; for 6h; Green chemistry;

DOI:10.1016/j.tetlet.2013.09.050

upstream raw materials:

2-pyrrole aldehyde

phenyldiazomethane

pyrrole

phenylacetyl chloride

Downstream raw materials:

2-(2-phenylethyl)pyrrole

2-((E)-2-phenylethen-1-yl)pyrrole

2-(3,4-methylenedioxybenzoyl)-5-(2-phenylethyl)pyrrole

2-Benzo[1,3]dioxol-5-ylmethyl-5-phenethyl-1H-pyrrole