Home Nitro Compounds 21272-85-5
21272-85-5,MFCD00015928
Catalog No.:AA003T2H

21272-85-5 | Benzenesulphonyl nitromethane

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Purity
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100mg
99%
in stock  
$36.00   $25.00
- +
250mg
99%
in stock  
$64.00   $45.00
- +
1g
99%
in stock  
$77.00   $54.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003T2H
Chemical Name:
Benzenesulphonyl nitromethane
CAS Number:
21272-85-5
Molecular Formula:
C7H7NO4S
Molecular Weight:
201.1998
MDL Number:
MFCD00015928
SMILES:
O=S(=O)(c1ccccc1)C[N+](=O)[O-]
Properties
Properties
 
Form:
Solid  

Computed Properties
 
Complexity:
268  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Rotatable Bond Count:
2  
XLogP3:
1.1  

Downstream Synthesis Route

[1]Locationinpatent:experimentalpartAleksiev;Ivanova;Valeva[Phosphorus,SulfurandSiliconandtheRelatedElements,2012,vol.187,#6,p.743-747]

[2]Troeger;Nolte[JournalfurpraktischeChemie(Leipzig1954),1921,vol.<2>101,p.149]

[1]Wade,PeterA.;Amin,NayanV.;Yen,Hwa-Kwo;Price,DavidT.;Huhn,GeorgeF.[JournalofOrganicChemistry,1984,vol.49,#24,p.4595-4601]

[2]Eaton,JohnK.;Kramm,Anneke;Ruberto,RichardA.;Schreiber,StuartL.;Viswanathan,VasanthiS.[JournaloftheAmericanChemicalSociety,2019]

[3]Kelley,J.L.etal.[JournalofHeterocyclicChemistry,1977,vol.14,p.1415-1416]

[1]Wade,PeterA.;Amin,NayanV.;Yen,Hwa-Kwo;Price,DavidT.;Huhn,GeorgeF.[JournalofOrganicChemistry,1984,vol.49,#24,p.4595-4601]

[2]Wade,PeterA.;Pillay,M.Krishna[JournalofOrganicChemistry,1981,vol.46,#26,p.5425-5427]

[3]Nordmann;Graff;Maurer;Gahwiler[JournalofMedicinalChemistry,1985,vol.28,#8,p.1109-1111]

[4]Simoni,Daniele;Grisolia,Giuseppina;Giannini,Giuseppe;Roberti,Marinella;Rondanin,Riccardo;Piccagli,Laura;Baruchello,Riccardo;Rossi,Marcello;Romagnoli,Romeo;Invidiata,FrancescoPaolo;Grimaudo,Stefania;Jung,M.Katherine;Hamel,Ernest;Gebbia,Nicola;Crosta,Lucia;Abbadessa,Vincenzo;DiCristina,Antonietta;Dusonchet,Luisa;Meli,Maria;Tolomeo,Manlio[JournalofMedicinalChemistry,2005,vol.48,#3,p.723-736]

[1]El-Khawaga,AhmedM.;Ismail,MohamedT.;Abdel-Wahab,Aboel-MagdA.[GazzettaChimicaItaliana,1982,vol.112,#5/6,p.235-238]

300-57-2    21272-85-5   
3-Benzenesulfonyl-5-benzyl-4,5-dihydro-isoxazole 

[1]Shimizu;Hayashi;Teramura[BulletinoftheChemicalSocietyofJapan,1984,vol.57,#9,p.2531-2534]

Literature

Title: Enantioselective synthesis of α-stereogenic γ-keto esters via formal umpolung.

Journal: Organic letters 20120706

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