Home Nitro Compounds 6526-72-3
6526-72-3,MFCD00039739
Catalog No.:AA003HPS

6526-72-3 | 2-Nitrocumene

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Purity
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1g
>97%(GC)
in stock  
$48.00   $34.00
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5g
>97.0%(GC)
in stock  
$127.00   $89.00
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25g
>97.0%(GC)
in stock  
$196.00   $137.00
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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:
AA003HPS
Chemical Name:
2-Nitrocumene
CAS Number:
6526-72-3
Molecular Formula:
C9H11NO2
Molecular Weight:
165.1891
MDL Number:
MFCD00039739
SMILES:
[O-][N+](=O)c1ccccc1C(C)C
Properties
Properties
 
BP:
256.4°C at 760 mmHg  
Form:
Liquid  
MP:
-9.5°C  
Refractive Index:
1.5220 to 1.5260  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
162  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Rotatable Bond Count:
1  
XLogP3:
3.3  

Downstream Synthesis Route

[1]Sahoo,Basudev;Formenti,Dario;Topf,Christoph;Bachmann,Stephan;Scalone,Michelangelo;Junge,Kathrin;Beller,Matthias[ChemSusChem,2017,vol.10,#15,p.3035-3039]

[2]Haun;Kobe[IndustrialandEngineeringChemistry,1951,vol.43,p.2355,2361]

[3]Vavon;Callier[BulletindelaSocieteChimiquedeFrance,1927,vol.<4>41,p.361]

[4]Smith,P.A.S.;Antoniades,E.P.[Tetrahedron,1960,vol.9,p.210-229]

[5]Smolinsky,G.[JournaloftheAmericanChemicalSociety,1961,vol.83,p.2489-2493]

[6]Denton,D.A.etal.[JournaloftheChemicalSociety,1964,p.2421-2425]

[7]Hoenel,Michael;Vierhapper,FriedrichW.[JournaloftheChemicalSociety.PerkintransactionsI,1980,p.1933-1939]

[8]Locationinpatent:experimentalpartJagadeesh,RajenahallyV.;Wienhoefer,Gerrit;Westerhaus,FelixA.;Surkus,Annette-Enrica;Junge,Henrik;Junge,Kathrin;Beller,Matthias[Chemistry-AEuropeanJournal,2011,vol.17,#51,p.14375-14379]

[9]Westerhaus,FelixA.;Jagadeesh,RajenahallyV.;Wienhoefer,Gerrit;Pohl,Marga-Martina;Radnik,Joerg;Surkus,Annette-Enrica;Rabeah,Jabor;Junge,Kathrin;Junge,Henrik;Nielsen,Martin;Brueckner,Angelika;Beller,Matthias[NatureChemistry,2013,vol.5,#6,p.537-543]

[10]Wienhoefer,Gerrit;Baseda-Krueger,Mario;Ziebart,Carolin;Westerhaus,FelixA.;Baumann,Wolfgang;Jackstell,Ralf;Junge,Kathrin;Beller,Matthias[ChemicalCommunications,2013,vol.49,#80,p.9089-9091]

[11]Westerhaus,FelixA.;Sorribes,Ivn;Wienhöfer,Gerrit;Junge,Kathrin;Beller,Matthias[Synlett,2015,vol.26,#3,p.313-317]

[12]CurrentPatentAssignee:EVONIKINDUSTRIESAG-US2015/307538,2015,A1Locationinpatent:Paragraph0031;0032

[13]Formenti,Dario;Ferretti,Francesco;Topf,Christoph;Surkus,Annette-Enrica;Pohl,Marga-Martina;Radnik,Jörg;Schneider,Matthias;Junge,Kathrin;Beller,Matthias;Ragaini,Fabio[JournalofCatalysis,2017,vol.351,p.79-89]

[1]Kornblum,Nathan;Ackermann,Peter;Swiger,R.T.[JournalofOrganicChemistry,1980,vol.45,#26,p.5294-5298]

[1]RussianJournalofOrganicChemistry,1995,vol.31,p.641-644    ZhurnalOrganicheskoiKhimii,1995,vol.31,p.695-698

461-98-3    6526-72-3    201230-82-2   
1-(2,6-dimethyl-pyrimidin-4-yl)-3-(2-isopropyl-phenyl)-urea 

[1]JournalofChemicalResearch-PartS,2003,p.442-444

36315-01-2    6526-72-3    201230-82-2   
1-(4,6-dimethoxy-pyrimidin-2-yl)-3-(2-isopropyl-phenyl)-urea 

[1]EuropeanJournalofOrganicChemistry,2003,p.3446-3452

Literature

Title: The donor-acceptor biphenyl platform: a versatile chromophore for the engineering of highly efficient two-photon sensitive photoremovable protecting groups.

Journal: Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology 20120301

Title: Water-soluble, donor-acceptor biphenyl derivatives in the 2-(o-nitrophenyl)propyl series: highly efficient two-photon uncaging of the neurotransmitter γ-aminobutyric acid at λ = 800 nm.

Journal: Angewandte Chemie (International ed. in English) 20120220

Title: Coumarin-caged dG for improved wavelength-selective uncaging of DNA.

Journal: Organic letters 20110902

Title: Development of anionically decorated 2-(ortho-nitrophenyl)-propyl-caged neurotransmitters for photolysis in vitro and in vivo.

Journal: Chembiochem : a European journal of chemical biology 20110110

Title: Structure-activity relationships of a caged thrombin binding DNA aptamer: insight gained from molecular dynamics simulation studies.

Journal: Journal of structural biology 20090601

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Tags:6526-72-3 Molecular Formula|6526-72-3 MDL|6526-72-3 SMILES|6526-72-3 2-Nitrocumene