N-Benzylbenzenesulfonamide

Base Information

• Chemical Name: N-Benzylbenzenesulfonamide
• CAS No.: 837-18-3
• Molecular Formula: C13H13NO2S
• Molecular Weight: 247.318
• Hs Code.: 2935909099
• European Community (EC) Number: 635-996-1
• NSC Number: 25016
• DSSTox Substance ID: DTXSID50232531
• Nikkaji Number: J465.603B
• Wikidata: Q83113598
• ChEMBL ID: CHEMBL1945331
• Mol file: 837-18-3.mol

Synonyms:N-Benzylbenzenesulfonamide;837-18-3;Benzenesulfonamide, N-benzyl-;N-benzyl-benzenesulfonamide;AI3-30853;Benzenesulfonamide, N-(phenylmethyl)-;BRN 2215451;N-(Benzyl)benzenesulfonamide;CHEMBL1945331;MFCD00092709;2-12-00-00571 (Beilstein Handbook Reference);NSC25016;Maybridge1_001915;N-phenylsulfonylbenzylamine;Oprea1_068185;Oprea1_317365;SCHEMBL407414;HMS546P01;DTXSID50232531;AR3641;BDBM50575973;CCG-52348;NSC 25016;NSC-25016;STK024100;AKOS000431177;MS-7256;NCGC00326250-01;LS-31293;SY083080;CS-0156266;AB01320820-02;A917739;AG-205/01770064;SR-01000641590-1;Z45508779

Chemical Property of N-Benzylbenzenesulfonamide

Chemical Property:

• Vapor Pressure: 6.46E-07mmHg at 25°C
• Melting Point: 85-86 °C
• Refractive Index: 1.598
• Boiling Point: 409.5 °C at 760 mmHg
• PKA: 11.21±0.30(Predicted)
• Flash Point: 201.5 °C
• PSA: 54.55000
• Density: 1.232 g/cm³
• LogP: 3.63680
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 247.06669983
• Heavy Atom Count: 17
• Complexity: 309

Purity/Quality:

98% ^*data from raw suppliers

N-Benzylbenzenesulfonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CNS(=O)(=O)C2=CC=CC=C2
• Uses: It is applied in chemical research and as an active pharmaceutical ingredient.

Technology Process of N-Benzylbenzenesulfonamide

There total 60 articles about N-Benzylbenzenesulfonamide 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: 100.0%

benzenesulfonyl chloride (98-09-9) + benzylamine (100-46-9) → N-benzylbenzenesulfonamide (837-18-3)

Guidance literature:

With triethylamine; In dichloromethane; 1) 0 deg C, 1 h, 2) room temperature;

DOI:10.1039/P19950002025

Reference yield: 99.0%

benzenesulfonamide (98-10-2) + benzyl alcohol (100-51-6,185532-71-2) → N-benzylbenzenesulfonamide (837-18-3)

Guidance literature:

With potassium hydroxide; In toluene; at 130 ℃; for 48h; Inert atmosphere;

DOI:10.1021/jo200559h

Reference yield: 98.0%

N-benzylidenephenylsulfonamide (13909-34-7) → N-benzylbenzenesulfonamide (837-18-3)

Guidance literature:

With hydrogen; tris(2,4,6-trimethylphenyl)phosphine; tris(pentafluorophenyl)borate; In toluene; at 120 ℃; for 8h; under 3800.26 Torr; Product distribution / selectivity;

upstream raw materials:

benzenesulfonyl chloride

benzylamine

N-benzoyl-N-benzylbenzenesulfonamide

benzenesulfonyl bromide

Downstream raw materials:

benzenesulfonic acid-[benzyl-(2-hydroxy-ethyl)-amide]

N-benzyl-N-ethanoylbenzenesulfonamide

N-benzyl-N-(phenylsulfonyl)benzenesulfonimide

N-benzyl-N-methylbenzenesulfonamide

Refernces

• 1、 Smith, Philip J.,Jiang, Yubo,Tong, Zixuan,Pickford, Helena D.,Christensen, Kirsten E.,Nugent, Jeremy,Anderson, Edward A.. "Synthesis of Polysubstituted Fused Pyrroles by Gold-Catalyzed Cycloisomerization/1,2-Sulfonyl Migration of Yndiamides". supporting information. p. 6547 - 6552. Retrieved 2021/08/30.
• 2、 -. "Synthetic method for catalyzing imine to be reduced into amine". Paragraph 0076-0078. . Retrieved 2021/04/14.