4-(2-Oxopyrrolidin-1-yl)benzenesulfonyl chloride

Base Information

• Chemical Name: 4-(2-Oxopyrrolidin-1-yl)benzenesulfonyl chloride
• CAS No.: 112539-09-0
• Molecular Formula: C10H10 Cl N O3 S
• Molecular Weight: 259.713
• Hs Code.: 2933998090
• European Community (EC) Number: 821-217-4
• DSSTox Substance ID: DTXSID20383241
• Wikidata: Q72499188
• Mol file: 112539-09-0.mol

Synonyms:112539-09-0;4-(2-oxopyrrolidin-1-yl)benzenesulfonyl chloride;4-(2-Oxopyrrolidin-1-yl)benzene-1-sulfonyl chloride;4-(2-Oxo-pyrrolidin-1-yl)-benzenesulfonyl chloride;4-(2-oxo-pyrrolidin-1-yl)-benzenesulfonylchloride;4-(2-oxo-1-pyrrolidinyl)benzenesulfonyl chloride;MFCD00219329;BAS 00138554;1-[4-(chlorosulfonyl)phenyl]pyrrolidin-2-one;SCHEMBL1023899;DTXSID20383241;OUAVTZYGHGCCCB-UHFFFAOYSA-N;BBL013132;STK400039;AKOS000272446;BS-14056;BB 0254320;CS-0215317;FT-0677168;EN300-23308;A802596;4-(2-Oxopyrrolidin-1-yl)benzene-1-sulfonylchloride;4-(2-OXO-PYRROLIDIN-1-YL)phenylsulfonyl CHLORIDE

Chemical Property of 4-(2-Oxopyrrolidin-1-yl)benzenesulfonyl chloride

Chemical Property:

• Vapor Pressure: 8.69E-10mmHg at 25°C
• Melting Point: 107 °C
• Refractive Index: 1.603
• Boiling Point: 491°Cat760mmHg
• PKA: -4.04±0.20(Predicted)
• Flash Point: 250.8°C
• PSA: 62.83000
• Density: 1.466g/cm³
• LogP: 2.88670
• Sensitive.: Air & Moisture Sensitive
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 259.0069920
• Heavy Atom Count: 16
• Complexity: 368

Purity/Quality:

98%Min ^*data from raw suppliers

4-(2-Oxopyrrolidin-1-yl)benzenesulfonylChloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=O)N(C1)C2=CC=C(C=C2)S(=O)(=O)Cl

Technology Process of 4-(2-Oxopyrrolidin-1-yl)benzenesulfonyl chloride

There total 3 articles about 4-(2-Oxopyrrolidin-1-yl)benzenesulfonyl chloride 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: 88.0%

1-phenylpyrrolidin-2-one (4641-57-0) → 4-(2-oxopyrrolidin-1-yl)benzene-1-sulfonyl chloride (112539-09-0)

Guidance literature:

With chlorosulfonic acid; at 25 ℃; for 15h;

DOI:10.1016/j.bmc.2018.07.042

Reference yield:

N-phenyl-4-chlorobutyramide (7578-45-2) → 4-(2-oxopyrrolidin-1-yl)benzene-1-sulfonyl chloride (112539-09-0)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydride / mineral oil; tetrahydrofuran / 24 h / 0 - 20 °C / Inert atmosphere

2: chlorosulfonic acid / 16 h / 0 - 20 °C / Inert atmosphere

With chlorosulfonic acid; sodium hydride; In tetrahydrofuran; mineral oil;

DOI:10.1016/j.ejmech.2020.113136

Reference yield:

aniline (62-53-3) → 4-(2-oxopyrrolidin-1-yl)benzene-1-sulfonyl chloride (112539-09-0)

Guidance literature:

Multi-step reaction with 3 steps

1: triethylamine / dichloromethane / 24 h / 20 °C

2: sodium hydride / mineral oil; tetrahydrofuran / 24 h / 0 - 20 °C / Inert atmosphere

3: chlorosulfonic acid / 16 h / 0 - 20 °C / Inert atmosphere

With chlorosulfonic acid; sodium hydride; triethylamine; In tetrahydrofuran; dichloromethane; mineral oil;

DOI:10.1016/j.ejmech.2020.113136

upstream raw materials:

1-phenylpyrrolidin-2-one

N-phenyl-4-chlorobutyramide

aniline

Downstream raw materials:

1-(4-(4-(4-acetylphenyl)piperazin-1-ylsulfonyl)phenyl)-pyrrolidin-2-one

1-(4-(3,4-dihydroquinolin-1(2H)-ylsulfonyl)phenyl)pyrrolidin-2-one

1-(4-(6-methyl-3,4-dihydroquinolin-1(2H)-ylsulfonyl)phenyl)pyrrolidin-2-one

1-(4-(octahydroquinolin-1(2H)-ylsulfonyl)phenyl)pyrrolidin-2-one

Refernces

• 1、 Okolotowicz, Karl J.,Dwyer, Mary,Ryan, Daniel,Cheng, Jiongjia,Cashman, Emily A.,Moore, Stephanie,Mercola, Mark,Cashman, John R.. "Novel tertiary sulfonamides as potent anti-cancer agents". . p. 4441 - 4451. Retrieved 2018/08/03.
• 2、 -. "ALKYL-SUBSTITUTED 3' COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY". Page/Page column 30. . Retrieved 2010/02/17.