(4-chlorophenyl)(1-methyl-1H-pyrrol-2-yl)methanone

Base Information

• Chemical Name: (4-chlorophenyl)(1-methyl-1H-pyrrol-2-yl)methanone
• CAS No.: 62128-32-9
• Molecular Formula: C12H10ClNO
• Molecular Weight: 219.671
• DSSTox Substance ID: DTXSID60360475
• Nikkaji Number: J3.469.654C
• Wikidata: Q82142238
• Mol file: 62128-32-9.mol

Synonyms:(4-chlorophenyl)(1-methyl-1H-pyrrol-2-yl)methanone;62128-32-9;BAS 01150646;Enamine_001091;SCHEMBL5223686;DTXSID60360475;YMRVZQVZCQCKMZ-UHFFFAOYSA-N;HMS1397B13;AKOS001018616;NCGC00333690-01;AB01329397-02;SR-01000322367;SR-01000322367-1;Z56792898

Chemical Property of (4-chlorophenyl)(1-methyl-1H-pyrrol-2-yl)methanone

Chemical Property:

• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 219.0450916
• Heavy Atom Count: 15
• Complexity: 236

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=CC=C1C(=O)C2=CC=C(C=C2)Cl

Technology Process of (4-chlorophenyl)(1-methyl-1H-pyrrol-2-yl)methanone

There total 6 articles about (4-chlorophenyl)(1-methyl-1H-pyrrol-2-yl)methanone 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: 97.0%

2-[2-(4-Chloro-phenyl)-benzo[1,3]oxathiol-2-yl]-1-methyl-1H-pyrrole (112925-42-5) → (4-chlorophenyl)(1-methyl-1H-pyrrol-2-yl)methanone (62128-32-9)

Guidance literature:

With tetrafluoroboric acid; mercury(II) oxide; In tetrahydrofuran; for 0.17h; Ambient temperature;

DOI:10.1021/jo00245a022

Reference yield: 85.0%

N-Methylpyrrole (96-54-8) + 4-chloro-benzoyl chloride (122-01-0) → (4-chlorophenyl)(1-methyl-1H-pyrrol-2-yl)methanone (62128-32-9)

Guidance literature:

With zinc(II) oxide; In neat (no solvent); at 20 ℃; for 0.0333333h; regioselective reaction; Green chemistry;

DOI:10.3184/174751913X13734615005971

Reference yield: 78.0%

N-Methylpyrrole (96-54-8) + 1-Chloro-4-iodobenzene (637-87-6) + carbon monoxide (201230-82-2) → (4-chlorophenyl)(1-methyl-1H-pyrrol-2-yl)methanone (62128-32-9)

Guidance literature:

With bis(tri-t-butylphosphine)palladium⁽⁰⁾; N-ethyl-N,N-diisopropylamine; In acetonitrile; at 115 ℃; for 24h; under 3040.2 Torr; Inert atmosphere; Autoclave;

DOI:10.1021/jacs.5b07098

upstream raw materials:

N-Methylpyrrole

N,N-dimethyl-4-chlorobenzamide

2-[2-(4-Chloro-phenyl)-benzo[1,3]oxathiol-2-yl]-1-methyl-1H-pyrrole

4-chloro-benzoyl chloride

Downstream raw materials:

N-methyl-3-(4-chlorobenzoyl)-1H-pyrrole

2,4-bis(4-chlorobenzoyl)-1-methylpyrrole

2-chloro-1-[5-(4-chlorobenzoyl)-1-methyl-1-H-pyrrol-3-yl]-ethanone

[5-(4-chlorobenzoyl)-1-methyl-1H-pyrrol-3-yl]pyridin-4-ylmethanone