2-(Benzenesulfonyl)-1H-pyrrole

Base Information

• Chemical Name: 2-(Benzenesulfonyl)-1H-pyrrole
• CAS No.: 82511-58-8
• Molecular Formula: C10H9NO2S
• Molecular Weight: 207.253
• DSSTox Substance ID: DTXSID90509911
• Nikkaji Number: J1.820.060K
• Wikidata: Q82367844
• Mol file: 82511-58-8.mol

Synonyms:2-(Benzenesulfonyl)-1H-pyrrole;82511-58-8;(phenylsulfonyl)pyrrole;SCHEMBL3655891;DTXSID90509911

Chemical Property of 2-(Benzenesulfonyl)-1H-pyrrole

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 207.03539970
• Heavy Atom Count: 14
• Complexity: 275

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)S(=O)(=O)C2=CC=CN2

Technology Process of 2-(Benzenesulfonyl)-1H-pyrrole

There total 4 articles about 2-(Benzenesulfonyl)-1H-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: 85.0%

pyrrole (109-97-7,30604-81-0) + benzenesulfonyl chloride (98-09-9) → 2-(phenylsulfonyl)pyrrole (82511-58-8)

Guidance literature:

With zinc; In toluene; at 20 ℃; for 1.5h;

DOI:10.1016/S0040-4039(02)01914-7

Reference yield: 37.0%

2-(phenylsulfenyl)pyrrole (79600-35-4) → 2-(phenylsulfonyl)pyrrole (82511-58-8)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; at 0 ℃; for 1h;

DOI:10.1021/jo00140a016

Reference yield: 2.0%

N-phenylsulfonylpyrrole (16851-82-4) → 2-(phenylsulfonyl)pyrrole (82511-58-8) + 2-phenyl-3-phenylsulfonyl-1H-pyrrole (83819-23-2)

Guidance literature:

With n-butyllithium; N,N,N,N,-tetramethylethylenediamine; In tetrahydrofuran; at 0 - 20 ℃; for 3.5h;

DOI:10.1016/S0022-328X(00)85849-0

upstream raw materials:

N-phenylsulfonylpyrrole

2-(phenylsulfenyl)pyrrole

pyrrole

benzenesulfonyl chloride

Downstream raw materials:

3-(phenylsulfonyl)-1H-pyrrole