N-Benzylidenebenzenesulfonamide

Base Information

• Chemical Name: N-Benzylidenebenzenesulfonamide
• CAS No.: 13909-34-7
• Molecular Formula: C13H11 N O2 S
• Molecular Weight: 245.302
• Hs Code.: 2935009090
• European Community (EC) Number: 628-396-6
• Mol file: 13909-34-7.mol

Synonyms:N-Benzylidenebenzenesulfonamide;13909-34-7;N-(Phenylsulfonyl)phenylmethaneimine;Benzenesulfonamide, N-(phenylmethylene)-;130552-90-8;MFCD00011587;SCHEMBL984789;MPNRJEPBAYEQBY-SDNWHVSQSA-N;N-Benzylidenebenzenesulfonamide, 97%;AKOS016005799;AS-19254;CS-0156494;N-[(E)-Phenylmethylidene]benzenesulfonamide #;A886146;J-007222

Chemical Property of N-Benzylidenebenzenesulfonamide

Chemical Property:

• Vapor Pressure: 1.93E-06mmHg at 25°C
• Melting Point: 78-81 °C(lit.)
• Refractive Index: 1.583
• Boiling Point: 406.3°C at 760 mmHg
• PKA: -4.08±0.50(Predicted)
• Flash Point: 199.5°C
• PSA: 54.88000
• Density: 1.16g/cm³
• LogP: 3.57520
• Storage Temp.: 2-8°C
• Solubility.: Chloroform, DCM
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 245.05104977
• Heavy Atom Count: 17
• Complexity: 344

Purity/Quality:

98%,99%, ^*data from raw suppliers

N-(Phenylmethylene)benzenesulfonamide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C=NS(=O)(=O)C2=CC=CC=C2
• Isomeric SMILES: C1=CC=C(C=C1)/C=N/S(=O)(=O)C2=CC=CC=C2
• Uses: N-(Phenylmethylene)benzenesulfonamide is an intermediate in the synthesis of Davis Oxaziridine (D194900), an oxidizing agent used in the preparation of wide variety of pharmaceutical compounds. Dyes and metabolites.

Technology Process of N-Benzylidenebenzenesulfonamide

There total 22 articles about N-Benzylidenebenzenesulfonamide 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: 99.0%

tetramethyl-1,3-bis(phenylsulfonyl)cyclodistannazane (74756-41-5) + benzaldehyde (100-52-7) → N-benzylidenephenylsulfonamide (13909-34-7) + dimethyltin oxide (2273-45-2)

Guidance literature:

In further solvent(s); Ar atmosphere; boiling in dichloroethane; filtration, washing (dichloroethane);

Reference yield: 94.0%

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

Guidance literature:

With N-hydroxyphthalimide; [bis(acetoxy)iodo]benzene; In dichloromethane; at 20 ℃; for 0.5h;

DOI:10.3390/molecules24203771

Reference yield: 92.0%

benzenesulfonamide (98-10-2) + benzaldehyde (100-52-7) → N-benzylidenephenylsulfonamide (13909-34-7)

Guidance literature:

With silica sulfuric acid; at 90 ℃; for 0.333333h;

DOI:10.1080/00304940809458106

upstream raw materials:

benzenesulfonamide

benzaldehyde

2-Sulfanylpyridine

N-(benzenesulfonyl)-3-phenyloxaziridine

Downstream raw materials:

1-benzenesulfonyl-4-morpholin-4-yl-2-phenyl-1,2-dihydro-azete

2-benzoyl-3-phenylacrylonitrile

(Z)-ethyl 2-cyano-3-phenylacrylate

Refernces

• 1、 Tata, Rama Rao,Fu, Chencheng,Kelley, Steven P.,Harmata, Michael. "Synthesis of 3-(Arylsulfonyl)-3-pyrrolines from Allenyl Sulfonamides by Silver Ion Catalysis". . p. 5723 - 5726. Retrieved 2018.
• 2、 Shi, Zhichao,Fan, Tingting,Zhang, Xun,Zhan, Feng,Wang, Zhe,Zhao, Lei,Lin, Jin-Shun,Jiang, Yuyang. "Synthesis of Diversely Substituted Imidazolidines via [3+2] Cycloaddition of 1,3,5-Triazinanes with Donor-Acceptor Aziridines and Their Anti-Tumor Activity". supporting information. p. 2619 - 2624. Retrieved 2021/04/05.