(1,5-Dimethyl-1H-pyrrol-2-yl)(4-methylphenyl)methanone

Base Information

• Chemical Name: (1,5-Dimethyl-1H-pyrrol-2-yl)(4-methylphenyl)methanone
• CAS No.: 62128-36-3
• Molecular Formula: C14H15NO
• Molecular Weight: 213.279
• DSSTox Substance ID: DTXSID60505647
• Nikkaji Number: J2.093.275I
• Wikidata: Q82360900
• Mol file: 62128-36-3.mol

Synonyms:62128-36-3;SCHEMBL8404830;(1,5-Dimethyl-1H-pyrrol-2-yl)(4-methylphenyl)methanone;1,2-dimethyl-5-p-toluoylpyrrole;DTXSID60505647;WIMNBZPDJQBWEA-UHFFFAOYSA-N

Chemical Property of (1,5-Dimethyl-1H-pyrrol-2-yl)(4-methylphenyl)methanone

Chemical Property:

• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 213.115364102
• Heavy Atom Count: 16
• Complexity: 256

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C(=O)C2=CC=C(N2C)C

Technology Process of (1,5-Dimethyl-1H-pyrrol-2-yl)(4-methylphenyl)methanone

There total 4 articles about (1,5-Dimethyl-1H-pyrrol-2-yl)(4-methylphenyl)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:

tolmetin sodium (35711-34-3) → N-methylpyrrole aldehyde (1192-58-1) + 4-methyl-benzaldehyde (104-87-0) + 1,5-dimethyl-2-(4-methylbenzoyl)pyrrole (62128-36-3) + p-tolyl 1-methyl-5-(hydroxymethyl)pyrrol-2-yl ketone

Guidance literature:

With oxygen; In methanol; for 96h; Further byproducts given; UV-irradiation;

DOI:10.1016/j.tetlet.2004.08.177

Reference yield:

tolmetin sodium (35711-34-3) → 1,5-dimethyl-2-(4-methylbenzoyl)pyrrole (62128-36-3)

Guidance literature:

With propionic acid; for 18h; Heating;

DOI:10.1021/jo00318a002

Reference yield:

1-methyl-5-(p-toluoyl)pyrrole-2-acetic acid (26171-23-3) → 1,5-dimethyl-2-(4-methylbenzoyl)pyrrole (62128-36-3) + (1-methyl-5-{2-[1-methyl-5-(4-methyl-benzoyl)-1H-pyrrol-2-yl]-ethyl}-1H-pyrrol-2-yl)-p-tolyl-methanone

Guidance literature:

With copper(II) ion; In water; pH=7.4; Further Variations:; Reagents; various Cu(2+) concentrations; also in the absence of Cu(2+); Product distribution; Kinetics; Irradiation;

DOI:10.1039/a906349h

upstream raw materials:

tolmetin sodium

1-methyl-5-(p-toluoyl)pyrrole-2-acetic acid

Downstream raw materials:

1,2-dimethyl-4-p-toluoylpyrrole