1H-Pyrrole, 1-[(4-methylphenyl)sulfonyl]-2-(3-nitrophenyl)-

Base Information

• Chemical Name: 1H-Pyrrole, 1-[(4-methylphenyl)sulfonyl]-2-(3-nitrophenyl)-
• CAS No.: 637354-45-1
• Molecular Formula: C₁₇H₁₄N₂O₄S
• Molecular Weight: 342.375
• DSSTox Substance ID: DTXSID60471535
• Wikidata: Q82300067

Synonyms:637354-45-1;2-(3-Nitrophenyl)-1-tosyl-1H-pyrrole;1H-Pyrrole, 1-[(4-methylphenyl)sulfonyl]-2-(3-nitrophenyl)-;DTXSID60471535

Chemical Property of 1H-Pyrrole, 1-[(4-methylphenyl)sulfonyl]-2-(3-nitrophenyl)-

Chemical Property:

• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 342.06742811
• Heavy Atom Count: 24
• Complexity: 546

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2C=CC=C2C3=CC(=CC=C3)[N+](=O)[O-]

Technology Process of 1H-Pyrrole, 1-[(4-methylphenyl)sulfonyl]-2-(3-nitrophenyl)-

There total 1 articles about 1H-Pyrrole, 1-[(4-methylphenyl)sulfonyl]-2-(3-nitrophenyl)- 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:

m-nitrobenzene boronic acid (13331-27-6) + 2-bromo-1-(p-toluenesulfonyl)pyrrole (290306-56-8) → 2-(3-nitro-phenyl)-1-(toluene-4-sulfonyl)-1H-pyrrole (637354-45-1)

Guidance literature:

With sodium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In ethanol; toluene; Heating;

DOI:10.1055/s-2003-42036

Reference yield: 57.0%

acetic acid (64-19-7,77671-22-8) + 2-(3-nitro-phenyl)-1-(toluene-4-sulfonyl)-1H-pyrrole (637354-45-1) → 1-[5-(3-nitro-phenyl)-1-(toluene-4-sulfonyl)-1H-pyrrol-2-yl]-ethanone

Guidance literature:

With trifluoroacetic anhydride; In 1,2-dichloro-ethane; for 48h; Heating;

DOI:10.1016/j.tetlet.2004.10.133

Reference yield:

2-(3-nitro-phenyl)-1-(toluene-4-sulfonyl)-1H-pyrrole (637354-45-1) → 2-(3-nitrophenyl)-1H-pyrrole (912763-15-6)

Guidance literature:

With sodium hydroxide; In ethanol; Heating;

DOI:10.1055/s-2003-42036

upstream raw materials:

m-nitrobenzene boronic acid

2-bromo-1-(p-toluenesulfonyl)pyrrole

Downstream raw materials:

2-(3-nitrophenyl)-1H-pyrrole

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