(4-Chlorophenyl)(1-methyl-1H-pyrrol-3-yl)methanone

Base Information

• Chemical Name: (4-Chlorophenyl)(1-methyl-1H-pyrrol-3-yl)methanone
• CAS No.: 62128-44-3
• Molecular Formula: C12H10ClNO
• Molecular Weight: 219.671
• DSSTox Substance ID: DTXSID20505648
• Wikidata: Q82360902
• Mol file: 62128-44-3.mol

Synonyms:62128-44-3;(4-Chlorophenyl)(1-methyl-1H-pyrrol-3-yl)methanone;SCHEMBL11728701;DTXSID20505648

Chemical Property of (4-Chlorophenyl)(1-methyl-1H-pyrrol-3-yl)methanone

Chemical Property:

• XLogP3: 2.6
• 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(=C1)C(=O)C2=CC=C(C=C2)Cl

Technology Process of (4-Chlorophenyl)(1-methyl-1H-pyrrol-3-yl)methanone

There total 9 articles about (4-Chlorophenyl)(1-methyl-1H-pyrrol-3-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: 90.0%

3-[2-(4-Chloro-phenyl)-benzo[1,3]oxathiol-2-yl]-1-methyl-1H-pyrrole (112816-91-8) → N-methyl-3-(4-chlorobenzoyl)-1H-pyrrole (62128-44-3)

Guidance literature:

With tetrafluoroboric acid; mercury(II) oxide; In tetrahydrofuran; for 0.5h; Ambient temperature;

DOI:10.1021/jo00245a022

Reference yield: 78.0%

(4-chlorophenyl)(1-methyl-1H-pyrrol-2-yl)methanone (62128-32-9) → N-methyl-3-(4-chlorobenzoyl)-1H-pyrrole (62128-44-3)

Guidance literature:

With trifluoroacetic acid; at 72 ℃; for 8h; Mechanism; Heating;

DOI:10.1021/jo00318a002

Reference yield: 73.0%

N-methylhydroxyamine hydrochloride (4229-44-1) + 4-chloro-benzoyl chloride (122-01-0) + dimethyl acetylenedicarboxylate (762-42-5) → N-methyl-3-(4-chlorobenzoyl)-1H-pyrrole (62128-44-3)

Guidance literature:

N-methylhydroxyamine hydrochloride; dimethyl acetylenedicarboxylate; With potassium hydrogencarbonate; In dichloromethane; for 0.25h;

4-chloro-benzoyl chloride; In dichloromethane; at 40 ℃; for 3h;

DOI:10.3390/molecules15052972

upstream raw materials:

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

(1-benzenesulfonyl-1H-pyrrol-3-yl)-(4-chlorophenyl)methanone

sodium methylate

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