alpha-Toluenesulfono-p-toluidide

Base Information

• Chemical Name: alpha-Toluenesulfono-p-toluidide
• CAS No.: 5434-03-7
• Molecular Formula: C14H15NO2S
• Molecular Weight: 261.3394
• NSC Number: 10410
• UNII: TYP33P7G42
• DSSTox Substance ID: DTXSID70202711
• Nikkaji Number: J1.974.389F
• Wikidata: Q83076023
• Mol file: 5434-03-7.mol

Synonyms:n-(4-methylphenyl)-1-phenylmethanesulfonamide;alpha-Toluenesulfono-p-toluidide;5434-03-7;Benzenemethanesulfonamide, N-(4-phenylmethyl)-;NSC-10410;NSC10410;NSC 10410;1-phenyl-N-(p-tolyl)methanesulfonamide;BRN 2649719;N-(4-Phenylmethyl)benzenemethanesulfonamide;Oprea1_742248;SCHEMBL9186300;TYP33P7G42;DTXSID70202711;AKOS003272987;N-(4-Methylphenyl)benzenemethanesulfonamide;N-(4-methylphenyl)(phenyl)methanesulfonamide;Benzenemethanesulfonamide, N-(4-methylphenyl)-;2-12-00-00528 (Beilstein Handbook Reference);AG-205/06495019;SR-01000025231;SR-01000025231-1;Z56756066

Chemical Property of alpha-Toluenesulfono-p-toluidide

Chemical Property:

• Vapor Pressure: 3.24E-07mmHg at 25°C
• Boiling Point: 418.6°C at 760 mmHg
• Flash Point: 207°C
• Density: 1.263g/cm³
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 261.08234989
• Heavy Atom Count: 18
• Complexity: 333

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)NS(=O)(=O)CC2=CC=CC=C2

Technology Process of alpha-Toluenesulfono-p-toluidide

There total 6 articles about alpha-Toluenesulfono-p-toluidide 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: 16.0%

phenylmethylsulphonyl fluoride (329-98-6) + p-toluidine (106-49-0,12221-03-3) → phenylmethanesulfon-p-toluidide (5434-03-7) + phenylmethane sulfonate (45947-75-9)

Guidance literature:

With methanol; at 45 ℃; for 8.5h; Mechanism;

DOI:10.1016/S0040-4039(00)96680-2

Reference yield: 15.0%

methanol (67-56-1) + p-toluidine (106-49-0,12221-03-3) + benzenesulfonyl chloride (1939-99-7) → methyl α-phenylmethanesulfonate (5877-96-3) + phenylmethanesulfon-p-toluidide (5434-03-7)

Guidance literature:

at 45 ℃; for 0.0166667h; Product distribution; Mechanism; further reaction time;

DOI:10.1016/S0040-4039(00)96680-2

Reference yield:

p-toluidine (106-49-0,12221-03-3) + benzenesulfonyl chloride (1939-99-7) → phenylmethanesulfon-p-toluidide (5434-03-7)

Guidance literature:

In acetonitrile; at 45 - 55 ℃; Thermodynamic data; Kinetics; ΔH(excit.), ΔS(excit.);

DOI:10.1021/ja00258a036

upstream raw materials:

p-toluidine

benzenesulfonyl chloride

N-(p-tolyl)-P,P,P-triphenylphosphine imide

phenylmethylsulphonyl fluoride