4-chloro-N-(1-phenylethyl)benzenesulfonamide

Base Information

• Chemical Name: 4-chloro-N-(1-phenylethyl)benzenesulfonamide
• CAS No.: 66898-13-3
• Molecular Formula: C14H14ClNO2S
• Molecular Weight: 295.79
• DSSTox Substance ID: DTXSID90385691
• Nikkaji Number: J1.414.799C

Synonyms:4-chloro-N-(1-phenylethyl)benzenesulfonamide;66898-13-3;Benzenesulfonamide, 4-chloro-N-(1-phenylethyl)-;CBMicro_006620;Oprea1_013005;Oprea1_139533;SCHEMBL1287373;DTXSID90385691;SMSF0005214;STK005654;AKOS000612120;AKOS016307150;CB08927;BIM-0006514.P001;N-(1-Phenylethyl)-4-chlorobenzenesulfonamide;4-chloro-N-(1-phenylethyl)-1-benzenesulfonamide;AB00081123-01;AG-690/10418022;Z45507984

Chemical Property of 4-chloro-N-(1-phenylethyl)benzenesulfonamide

Chemical Property:

• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 295.0433776
• Heavy Atom Count: 19
• Complexity: 365

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: CC(C1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)Cl

Technology Process of 4-chloro-N-(1-phenylethyl)benzenesulfonamide

There total 5 articles about 4-chloro-N-(1-phenylethyl)benzenesulfonamide 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%

4-Chlorobenzenesulfonamide (98-64-6) + 1-phenylethyl 2,2,2-trichloroacetimidate (99421-72-4) → 4-chloro-N-(1-phenylethyl)benzenesulfonamide (66898-13-3)

Guidance literature:

In toluene; for 18h; Inert atmosphere; Reflux;

DOI:10.1021/acs.joc.6b01421

Reference yield: 72.0%

C56H52N4(2-)*2C6H4ClNO2S(2-)*Ru(6+) + ethylbenzene (100-41-4,27536-89-6) → 4-chloro-N-(1-phenylethyl)benzenesulfonamide (66898-13-3)

Guidance literature:

With NH-pyrazole; In dichloromethane; at 24.85 ℃; for 3h;

DOI:10.1021/ja0542789

Reference yield: 70.0%

4-Chlorobenzenesulfonamide (98-64-6) + ethylbenzene (100-41-4,27536-89-6) → 4-chloro-N-(1-phenylethyl)benzenesulfonamide (66898-13-3)

Guidance literature:

With N-Bromosuccinimide; iron(II) chloride; In ethyl acetate; at 50 ℃; for 8h;

DOI:10.1021/ol800593p

upstream raw materials:

ethylbenzene

4-Chlorobenzenesulfonamide

[N-(p-chlorophenylsulfonyl)imino]phenyliodinane

1-phenylethyl 2,2,2-trichloroacetimidate

Downstream raw materials:

N-Allyl-4-chloro-N-(1-phenyl-ethyl)-benzenesulfonamide

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