Methanone, (4-methylphenyl)(1-methyl-1H-pyrrol-3-yl)-

Base Information

• Chemical Name: Methanone, (4-methylphenyl)(1-methyl-1H-pyrrol-3-yl)-
• CAS No.: 62128-43-2
• Molecular Formula: C13H13NO
• Molecular Weight: 199.252
• DSSTox Substance ID: DTXSID00395403

Synonyms:62128-43-2;Methanone, (4-methylphenyl)(1-methyl-1H-pyrrol-3-yl)-;DTXSID00395403;1-methyl-3-(4-methylbenzoyl)-1H-pyrrole;(1-methyl-1H-pyrrol-3-yl)(p-tolyl)methanone

Chemical Property of Methanone, (4-methylphenyl)(1-methyl-1H-pyrrol-3-yl)-

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 199.099714038
• Heavy Atom Count: 15
• Complexity: 231

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=CN(C=C2)C

Technology Process of Methanone, (4-methylphenyl)(1-methyl-1H-pyrrol-3-yl)-

There total 3 articles about Methanone, (4-methylphenyl)(1-methyl-1H-pyrrol-3-yl)- 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:

N-Methylpyrrole (96-54-8) + carbon monoxide (201230-82-2) + 4-tolyl iodide (624-31-7) → 3-p-Toluyl-1-methylpyrrol (62128-43-2) + (1-methyl-1H-pyrrol-2-yl)-p-tolylmethanone (62128-31-8)

Guidance literature:

With bis(η3-allyl-μ-chloropalladium(II)); silver trifluoromethanesulfonate; In 1,2-dichloro-ethane; at 100 ℃; for 24h; under 3040.2 Torr; Overall yield = 73 %; Inert atmosphere; Sealed tube; Glovebox; Schlenk technique; Green chemistry;

DOI:10.1038/NCHEM.2903

Reference yield:

N-Methylpyrrole (96-54-8) + N,N-dimethyl-4-toluamide (14062-78-3) → 3-p-Toluyl-1-methylpyrrol (62128-43-2)

Guidance literature:

With PPA; sodium acetate; trichlorophosphate; Multistep reaction;

DOI:10.1021/jo00318a002

Reference yield:

→ 3-p-Toluyl-1-methylpyrrol (62128-43-2)

Guidance literature:

2-p-Toluyl-1-methylpyrrol, Polyphosphorsaeure, Δ;

upstream raw materials:

N-Methylpyrrole

N,N-dimethyl-4-toluamide

carbon monoxide

4-tolyl iodide

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