Benzenesulfinanilide

Base Information

• Chemical Name: Benzenesulfinanilide
• CAS No.: 14933-97-2
• Molecular Formula: C12H11 N O S
• Molecular Weight: 217.291
• NSC Number: 95815
• DSSTox Substance ID: DTXSID60294322
• Nikkaji Number: J274.003F
• Mol file: 14933-97-2.mol

Synonyms:N-phenylbenzenesulfinamide;Benzenesulfinanilide;14933-97-2;NSC95815;SCHEMBL5549485;DTXSID60294322;NSC-95815;AKOS000276984;AKOS024329380

Chemical Property of Benzenesulfinanilide

Chemical Property:

• Vapor Pressure: 5.68E-06mmHg at 25°C
• Boiling Point: 379.9°Cat760mmHg
• Flash Point: 183.5°C
• Density: 1.28g/cm³
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 217.05613515
• Heavy Atom Count: 15
• Complexity: 208

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Benzenesulfinanilide

There total 19 articles about Benzenesulfinanilide 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: 96.0%

N-phenylsulfinylamine (222851-56-1) + phenylmagnesium bromide (100-58-3) → N-phenylbenzenesulfinamide (14933-97-2)

Guidance literature:

In tetrahydrofuran; for 2h; -78 deg C to room temp.;

Reference yield: 93.0%

methyl benzenesulfinate (670-98-4) + aniline (62-53-3) → N-phenylbenzenesulfinamide (14933-97-2)

Guidance literature:

methyl benzenesulfinate; With aluminum (III) chloride; In 1,2-dichloro-ethane; at 25 ℃; for 1h; Inert atmosphere;

aniline; In 1,2-dichloro-ethane; at 25 ℃; Inert atmosphere;

DOI:10.1021/jo2006335

Reference yield: 92.0%

(tert-butylsulfinyl)benzene (62076-10-2,4170-71-2) + aniline (62-53-3) → N-phenylbenzenesulfinamide (14933-97-2)

Guidance literature:

(tert-butylsulfinyl)benzene; With N-Bromosuccinimide; acetic acid; In dichloromethane; at 20 ℃; for 0.166667h; Inert atmosphere;

aniline; In dichloromethane; at 20 ℃; for 0.166667h; Solvent; Reagent/catalyst; Inert atmosphere;

DOI:10.1021/acs.orglett.5b02743

upstream raw materials:

phenyllithium

N-phenylsulfinylamine

diethyl ether

benzenesulphinyl chloride

Downstream raw materials:

aniline benzenesulfonate

4-(N-phenylphenylsulfonimidoyl)morpholine

N-(phenyl)benzenesulfonimidoyl fluoride

2-(Phenylthio)benzenesulfinanilide