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Benzenesulfonimidic acid

Base Information Edit
  • Chemical Name:Benzenesulfonimidic acid
  • CAS No.:98-10-2
  • Molecular Formula:C6H7NO2S
  • Molecular Weight:157.193
  • Hs Code.: Oral rat LD50: 991 mg/kg
  • Mol file:98-10-2.mol
Benzenesulfonimidic acid

Synonyms:benzenesulfonimidic acid;4388-24-3;Benzenesulfonimidicacid;SCHEMBL13452509

Suppliers and Price of Benzenesulfonimidic acid
Supply Marketing:Edit
Business phase:
The product has achieved commercial mass production*data from LookChem market partment
Manufacturers and distributors:
  • Manufacture/Brand
  • Chemicals and raw materials
  • Packaging
  • price
  • TRC
  • Benzenesulfonamide
  • 5g
  • $ 45.00
  • TCI Chemical
  • Benzenesulfonamide >98.0%(N)
  • 25g
  • $ 21.00
  • TCI Chemical
  • Benzenesulfonamide >98.0%(N)
  • 500g
  • $ 61.00
  • Sigma-Aldrich
  • Benzenesulfonamide ≥98%
  • 500g
  • $ 79.30
  • Sigma-Aldrich
  • Benzenesulfonamide for synthesis. CAS No. 98-10-2, EC Number 202-637-1., for synthesis
  • 8219590500
  • $ 97.20
  • Sigma-Aldrich
  • Benzenesulfonamide for synthesis
  • 500 g
  • $ 93.42
  • Sigma-Aldrich
  • Benzenesulfonamide ≥98%
  • 100g
  • $ 30.00
  • Sigma-Aldrich
  • Benzenesulfonamide for synthesis
  • 100 g
  • $ 29.69
  • Sigma-Aldrich
  • Benzenesulfonamide ≥98%
  • 5g
  • $ 25.40
  • Sigma-Aldrich
  • Benzenesulfonamide for synthesis. CAS No. 98-10-2, EC Number 202-637-1., for synthesis
  • 8219590100
  • $ 31.00
Total 127 raw suppliers
Chemical Property of Benzenesulfonimidic acid Edit
Chemical Property:
  • Appearance/Colour:white to off-white granular crystalline powder 
  • Melting Point:149-152 °C(lit.) 
  • Refractive Index:1.5500 (estimate) 
  • Boiling Point:315.5 °C at 760 mmHg 
  • PKA:10.1(at 25℃) 
  • Flash Point:144.6 °C 
  • PSA:68.54000 
  • Density:1.327 g/cm3 
  • LogP:2.11510 
  • Storage Temp.:Store below +30°C. 
  • Solubility.:methanol: soluble25mg/mL 
  • Water Solubility.:4.3 g/L (16 ºC) 
  • XLogP3:1.3
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Rotatable Bond Count:1
  • Exact Mass:157.01974964
  • Heavy Atom Count:10
  • Complexity:202
Purity/Quality:

99% *data from raw suppliers

Benzenesulfonamide *data from reagent suppliers

Safty Information:
  • Pictogram(s): HarmfulXn 
  • Hazard Codes:Xn 
  • Statements: 22 
  • Safety Statements: 36 
MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:C1=CC=C(C=C1)S(=N)(=O)O
  • Uses Biospecific adsorption of carbonic anhydrase to self-assembled monolayers of alkanethiolates that present benzenesulfonamide groups on gold. Biospecific binding of carbonic anhydrase to mixed sams presenting benzenesulfonamide ligands led to a model system for studying lateral steric effects. Benzenesulfonamide modifications at c-7 of ciprofloxacin change its primary target instreptococcus pneumoniae from topoisomerase iv to gyrase. Polar substitutions in the benzenesulfonamide ring of celecoxib afford a potent 1,5-diarylpyrazole class of COX-2 inhibitors. Benzenesulfonamide was used to develop analytical method for simultaneous determination of benzotriazole, benzothiazole and benzenesulfonamide contaminants in environmental waters.
Technology Process of Benzenesulfonimidic acid

There total 365 articles about Benzenesulfonimidic acid 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:
Guidance literature:
With ammonium hydroxide; manganese(IV) oxide; oxygen; In water; N,N-dimethyl-formamide; at 80 ℃; for 20h; under 7500.75 Torr; Reagent/catalyst; Autoclave;
DOI:10.1039/c9cc09411c
Guidance literature:
With chromium(III) acetate hydroxide; periodic acid; In acetonitrile; at 20 ℃; for 18h;
DOI:10.1055/s-2004-830851
Guidance literature:
With chromium(III) acetate hydroxide; periodic acid; In acetonitrile; at 20 ℃; for 18h;
DOI:10.1055/s-2004-830851
Refernces Edit

Manganese dioxide catalyzed N-alkylation of sulfonamides and amines with alcohols under air

10.1021/ol202582c

The study presents an efficient method for the N-alkylation of sulfonamides and amines using alcohols as alkylating reagents, catalyzed by manganese dioxide (MnO2) under aerobic and solvent-free conditions. This approach is a greener alternative to traditional methods, as it avoids the use of noble metal catalysts, preformed complexes, and inert atmosphere protection. The researchers found that MnO2 is a less toxic, readily available, and recyclable catalyst that can facilitate the reaction at mild temperatures without the need for high pressure or large excess amounts of reagents. The method was successfully applied to a variety of sulfonamides and amines, yielding good to high product yields. Additionally, the study explores the potential mechanism of the reaction, suggesting a process involving Mn-mediated alcohol oxidation, condensation, transfer hydrogenation, and regeneration of the aldehyde, which completes the catalytic cycle. The developed method simplifies operation and workup procedures and may serve as a promising alternative to existing N-alkylation methods.

KF/Al2O3 as an efficient, green, and reusable catalytic system for the solvent-free synthesis of N-Alkyl derivatives of sulfonamides via michael reactions

10.1080/10426500802274625

The study presents an efficient, green, and reusable catalytic system using KF/Al2O3 for the solvent-free synthesis of N-alkyl derivatives of sulfonamides via Michael reactions. The process is conducted under microwave irradiation without the need for organic solvents, making it environmentally friendly and cost-effective. The researchers optimized the reaction conditions and found that the use of KF/Al2O3 and tetrabutylammonium bromide (TBAB) significantly improved the yield and selectivity of the desired N-alkylated sulfonamides. The method was effective with various α,β-unsaturated esters and sulfonamides, demonstrating broad applicability. The catalyst could be reused multiple times after simple washing, showing its potential for industrial applications. The study emphasizes the importance of green chemistry practices and the role of microwave irradiation in accelerating reaction rates and improving outcomes.

Tetrahydroisoquinoline derivatives containing a benzenesulfonamide moiety as potent, selective human β3 adrenergic receptor agonists

10.1016/S0960-894X(00)00459-5

The research focuses on the development of potent and selective human β3 adrenergic receptor (AR) agonists, specifically tetrahydroisoquinoline derivatives containing a benzenesulfonamide moiety, for potential use in treating obesity. The study aimed to improve the selectivity and potency of these compounds over binding to and activation of β1 and β2 ARs. Key chemicals included trimetoquinol (TMQ), a potent human β3 AR agonist with limited selectivity, and various derivatives such as biphenyl, naphthyl, and aryloxy compounds. The researchers synthesized and tested several derivatives, finding that the 4,4-biphenyl derivative 9 was a potent full agonist with an EC50 of 6 nM and showed >300-fold selectivity over binding to β1 and β2 ARs. The naphthyloxy compound 18 exhibited excellent selectivity for the β3 AR, with an EC50 of 78 nM and >1000-fold selectivity over binding to β1 and β2 ARs. The study concluded that these derivatives represent a significant advancement in the design of structurally distinct human β3 AR agonists, potentially offering therapeutic benefits for obesity treatment.

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