2-Methyl-1-(4-methylphenyl)-5-(4-methylsulfonylphenyl)pyrrole

Base Information

Chemical Name:2-Methyl-1-(4-methylphenyl)-5-(4-methylsulfonylphenyl)pyrrole
CAS No.:189500-96-7
Molecular Formula:C19H19NO2S
Molecular Weight:325.431
Hs Code.:
DSSTox Substance ID:DTXSID50443241
Pharos Ligand ID:C3PYQRTARPJH
ChEMBL ID:CHEMBL43737

Synonyms:CHEMBL43737;189500-96-7;2-Methyl-5-(4-(methylsulfonyl)phenyl)-1-(p-tolyl)-1H-pyrrole;2-methyl-1-(4-methylphenyl)-5-(4-methylsulfonylphenyl)pyrrole;SCHEMBL7212097;DTXSID50443241;JULPDIIDMNHGEC-UHFFFAOYSA-N;BDBM50057902;2-(4-Methanesulfonyl-phenyl)-5-methyl-1-p-tolyl-1H-pyrrole;2-methyl-1-(4-methylphenyl)-5-[4-(methylsulfonyl)phenyl]-1H-pyrrole

Suppliers and Price of 2-Methyl-1-(4-methylphenyl)-5-(4-methylsulfonylphenyl)pyrrole

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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price

Total 1 raw suppliers

Chemical Property of 2-Methyl-1-(4-methylphenyl)-5-(4-methylsulfonylphenyl)pyrrole

Chemical Property:

XLogP3:4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:325.11365002
Heavy Atom Count:23
Complexity:482

Purity/Quality:: 99.90% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC=C(C=C1)N2C(=CC=C2C3=CC=C(C=C3)S(=O)(=O)C)C

Technology Process of 2-Methyl-1-(4-methylphenyl)-5-(4-methylsulfonylphenyl)pyrrole

There total 3 articles about 2-Methyl-1-(4-methylphenyl)-5-(4-methylsulfonylphenyl)pyrrole 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: 91.0%

: 106-49-0,12221-03-3
p-toluidine

: 189501-34-6
1-[4-(methylsulfonyl)phenyl]pentane-1,4-dione

: 189500-96-7
2-methyl-1-(4-methylphenyl)-5-[4-(methylsulfonyl)phenyl]-1H-pyrrole

Guidance literature:: With toluene-4-sulfonic acid; In toluene;

Reference yield:

: 5398-77-6
para-methanesulfonylbenzaldehyde

: 189500-96-7
2-methyl-1-(4-methylphenyl)-5-[4-(methylsulfonyl)phenyl]-1H-pyrrole

Guidance literature:: Multi-step reaction with 2 steps

1: triethylamine / ethanol / 75 °C

2: aq. phosphate buffer; acetonitrile / 23 °C / pH 7.2

With triethylamine; In aq. phosphate buffer; ethanol; acetonitrile; 1: |Stetter 1,4-Dicarbonyl Synthesis / 2: |Paal-Knorr Pyrrole Synthesis;
DOI:10.1039/d0ra06962k

Reference yield:

: 189501-33-5
1-[4-(methylthio)phenyl]pentane-1,4-dione

: 189500-96-7
2-methyl-1-(4-methylphenyl)-5-[4-(methylsulfonyl)phenyl]-1H-pyrrole

Guidance literature:: Multi-step reaction with 2 steps

1: 90 percent / aq. Oxone(R) / methanol / 2 h / 25 °C

2: 85 percent / p-toluenesulfonic acid / toluene / 20 h / Heating

With oxone; toluene-4-sulfonic acid; In methanol; toluene; 2: Paal-Knorr condensation;
DOI:10.1021/jm049121q