Benzenesulfonamide, N-(phenylsulfonyl)-

Base Information

• Chemical Name: Benzenesulfonamide, N-(phenylsulfonyl)-
• CAS No.: 2618-96-4
• Molecular Formula: C12H11NO4S2
• Molecular Weight: 297.356
• Hs Code.: 29350090
• European Community (EC) Number: 220-051-4
• DSSTox Substance ID: DTXSID0062557
• Nikkaji Number: J76.680A
• Wikidata: Q72463442
• Mol file: 2618-96-4.mol

Synonyms:Dibenzenesulfonimide;2618-96-4;Benzenesulfonamide, N-(phenylsulfonyl)-;Dibenzenesulfonamide;Bis(phenylsulfonyl)amine;N-(benzenesulfonyl)benzenesulfonamide;N-(Phenylsulfonyl)benzenesulfonamide;C12H11NO4S2;EINECS 220-051-4;MFCD00025019;N-(Phenylsulphonyl)benzenesulphonamide;AI3-28459;Dibenzolsulfimid;Dibenzolsulfimide;Diphenylsulfonimide;Benzenesulfonic acid imide;Dibenzenesulfimide;N-phenylsulfonylbenzenesulfonamide;Dibenzene sulfonimide;Cambridge id 5117232;CBDivE_004172;SCHEMBL798074;DTXSID0062557;HMS1577G12;AMY28703;CCG-2113;AKOS015897507;N-(Phenylsulfonyl)benzenesulfonamide #;CS-W012928;SB82572;AC-28774;AS-14706;SY015125;D2540;FT-0634401;F15467;Dibenzenesulfonimide, purum, >=97.0% (HPLC);SR-01000196128;SR-01000196128-1;W-107191;Z57932426

Chemical Property of Benzenesulfonamide, N-(phenylsulfonyl)-

Chemical Property:

• Appearance/Colour: white powder
• Vapor Pressure: 0Pa at 25℃
• Melting Point: 150-155 ºC
• Boiling Point: 480.6 ºC at 760 mmHg
• PKA: -1.10±0.40(Predicted)
• Flash Point: 244.5 ºC
• PSA: 97.07000
• Density: 1.418 g/cm³
• LogP: 3.90630
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Soluble in water
• Water Solubility.: 4.58g/L at 25℃
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 297.01295018
• Heavy Atom Count: 19
• Complexity: 429

Purity/Quality:

99% ^*data from raw suppliers

Dibenzenesulfonimide ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

Total 1 MSDS from other Authors

Useful:

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

Technology Process of Benzenesulfonamide, N-(phenylsulfonyl)-

There total 19 articles about Benzenesulfonamide, N-(phenylsulfonyl)- 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%

2,2,6,6-tetramethylpiperidine-1-oxoammonium tetrafluoroborate + N-fluorobis(benzenesulfon)imide (133745-75-2) → 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical (2564-83-2,45842-10-2,126517-51-9,25657-03-8,26933-82-4,54637-06-8,64104-42-3) + dibenzenesulfonamide (2618-96-4)

Guidance literature:

With 1,1,1,2,2,2-hexamethyldisilane; copper(l) chloride; In acetonitrile; at 70 ℃; for 1h; Schlenk technique; Inert atmosphere;

DOI:10.1016/j.tetlet.2017.01.015

Reference yield: 100.0%

N-nitrobenzenesulfonimide (80284-04-4) → dibenzenesulfonamide (2618-96-4)

Guidance literature:

With water;

DOI:10.1007/BF01094641

Reference yield: 94.0%

tert-butyl 2-phenoxyethaneperoxoate (5789-77-5) + N-fluorobis(benzenesulfon)imide (133745-75-2) → dibenzenesulfonamide (2618-96-4) + fluoromethyl phenyl ether (87453-27-8)

Guidance literature:

In [D₃]acetonitrile; at 110 ℃; for 0.0833333h; Inert atmosphere; Sealed tube;

DOI:10.1021/ja211679v

upstream raw materials:

benzenesulfonamide

benzenesulfonyl chloride

sodium benzenesulfonate

chloramine-B

Downstream raw materials:

N,N-Bis--o-nitro-phenylsulfenylamid

di-tert-butyl nitroxide

C₁₇H₂₀NO₃S

Refernces

• 1、 Chen, Zheng,Guo, Peng,He, Zi-Xin,Ye, Ke-Yin,Zhang, Xiang-Gui. "Cobalt-catalyzed Divergent Markovnikov and Anti-Markovnikov Hydroamination". supporting information. . Retrieved 2022/01/04.
• 2、 Jeong, Yuri,Ban, Jaeyoung,Lim, Minkyung,Rhee, Hakjune. "A Novel Synthesis of N -Sulfonylformamidines from N Sulfonyl sulfonamides". supporting information. p. 1867 - 1874. Retrieved 2018/02/26.