1-[1-(Benzenesulfonyl)-1H-pyrrol-3-yl]-2-chloroethan-1-one

Base Information

Chemical Name:1-[1-(Benzenesulfonyl)-1H-pyrrol-3-yl]-2-chloroethan-1-one
CAS No.:91579-92-9
Molecular Formula:C12H10ClNO3S
Molecular Weight:283.73100
Hs Code.:
DSSTox Substance ID:DTXSID70532525
Wikidata:Q82405192

Synonyms:91579-92-9;DTXSID70532525;1-[1-(Benzenesulfonyl)-1H-pyrrol-3-yl]-2-chloroethan-1-one;C92542;2-CHLORO-1-(1-(PHENYLSULFONYL)-1H-PYRROL-3-YL)ETHAN-1-ONE

Suppliers and Price of 1-[1-(Benzenesulfonyl)-1H-pyrrol-3-yl]-2-chloroethan-1-one

Supply Marketing:

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

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Chemical Property of 1-[1-(Benzenesulfonyl)-1H-pyrrol-3-yl]-2-chloroethan-1-one

Chemical Property:

PSA：64.52000
LogP:3.22740
XLogP3:2.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:283.0069920
Heavy Atom Count:18
Complexity:398

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)S(=O)(=O)N2C=CC(=C2)C(=O)CCl

Technology Process of 1-[1-(Benzenesulfonyl)-1H-pyrrol-3-yl]-2-chloroethan-1-one

There total 5 articles about 1-[1-(Benzenesulfonyl)-1H-pyrrol-3-yl]-2-chloroethan-1-one 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: 70.0%

: 16851-82-4
N-phenylsulfonylpyrrole

: 79-04-9
chloroacetyl chloride

: 91579-92-9
2-chloro-1-(1-(phenylsulfonyl)-1H-pyrrol-3-yl)ethanone

Guidance literature:: chloroacetyl chloride; With aluminum (III) chloride; In dichloromethane; at 20 ℃; for 0.166667h; Inert atmosphere;

N-phenylsulfonylpyrrole; In dichloromethane; Inert atmosphere;
DOI:10.1021/jo5016008

Reference yield: 64.0%

: 81453-98-7
3-acetyl-1-(phenylsulfonyl)pyrrole

: 91579-92-9
2-chloro-1-(1-(phenylsulfonyl)-1H-pyrrol-3-yl)ethanone

Guidance literature:: 3-acetyl-1-(phenylsulfonyl)pyrrole; With trimethylsilyl trifluoromethanesulfonate; N-ethyl-N,N-diisopropylamine; In dichloromethane; at 0 - 20 ℃; for 2h; Molecular sieve;

With 2-chloro-1,3-bis(methoxycarbonyl)guanidine; In dichloromethane; at 20 ℃; for 2h; chemoselective reaction; Molecular sieve;
DOI:10.1021/ja5031744