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58656-99-8,MFCD02091504
Catalog No.:AA00E9NI

58656-99-8 | tert-Butyl 3-nitrobenzoate

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Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$79.00   $55.00
- +
5g
98%
in stock  
$211.00   $148.00
- +
25g
98%
in stock  
$610.00   $427.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00E9NI
Chemical Name:
tert-Butyl 3-nitrobenzoate
CAS Number:
58656-99-8
Molecular Formula:
C11H13NO4
Molecular Weight:
223.2252
MDL Number:
MFCD02091504
SMILES:
O=C(c1cccc(c1)[N+](=O)[O-])OC(C)(C)C
Properties
Properties
 
BP:
314.4°C at 760 mmHg  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
277  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Rotatable Bond Count:
3  
XLogP3:
2.9  

Downstream Synthesis Route
58656-99-8    92146-82-2   
3-hydroxyamino-benzoicacid<i>tert</i>-butylester 

[1]Park,SeungBum;Standaert,RobertF.[TetrahedronLetters,1999,vol.40,#36,p.6557-6560]

[1]Zaki[JournaloftheChemicalSociety,1928,p.983]

[1]Park,SeungBum;Standaert,RobertF.[TetrahedronLetters,1999,vol.40,#36,p.6557-6560]

[1]Barja,BeatrizC.;Bruttomesso,AndreaC.;Eliseeva,SvetlanaV.;Petoud,Stéphane;Ramírez,JavierA.;Trupp,Leandro;Vardé,Mariana[Chemistry-AEuropeanJournal,2020,vol.26,#70,p.16900-16909]

[2]Drewe,WilliamC.;Nanjunda,Rupesh;Gunaratnam,Mekala;Beltran,Monica;Parkinson,GaryN.;Reszka,AnthonyP.;Wilson,W.David;Neidle,Stephen[JournalofMedicinalChemistry,2008,vol.51,#24,p.7751-7767]

[3]CurrentPatentAssignee:UNIVERSITYOFLONDON-WO2008/122667,2008,A2Locationinpatent:Page/Pagecolumn48-49

[4]Nakamura,Kazuhiko;Ohnishi,Yuki;Horikawa,Eiji;Konakahara,Takeo;Kodaka,Masato;Okuno,Hiroaki[TetrahedronLetters,2003,vol.44,#29,p.5445-5448]

[5]Fish,PaulV.;Barber,ChristopherG.;Brown,DavidG.;Butt,Richard;Collis,MichaelG.;Dickinson,RogerP.;Henry,BrianT.;Horne,ValerieA.;Huggins,JohnP.;King,Elizabeth;O'Gara,Margaret;McCleverty,Dawn;McIntosh,Fraser;Phillips,Christopher;Webster,Robert[JournalofMedicinalChemistry,2007,vol.50,#10,p.2341-2351]

[6]CurrentPatentAssignee:PFIZERINC-US6093731,2000,A

[7]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-US5795887,1998,A

[8]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-US5739129,1998,A

[1]Barja,BeatrizC.;Bruttomesso,AndreaC.;Eliseeva,SvetlanaV.;Petoud,Stéphane;Ramírez,JavierA.;Trupp,Leandro;Vardé,Mariana[Chemistry-AEuropeanJournal,2020,vol.26,#70,p.16900-16909]

[2]Drewe,WilliamC.;Nanjunda,Rupesh;Gunaratnam,Mekala;Beltran,Monica;Parkinson,GaryN.;Reszka,AnthonyP.;Wilson,W.David;Neidle,Stephen[JournalofMedicinalChemistry,2008,vol.51,#24,p.7751-7767]

[3]CurrentPatentAssignee:UNIVERSITYOFLONDON-WO2008/122667,2008,A2Locationinpatent:Page/Pagecolumn48

[4]Hou,Fei;Wang,Xi-Cun;Quan,Zheng-Jun[OrganicandBiomolecularChemistry,2018,vol.16,#48,p.9472-9476]

[5]Nakamura,Kazuhiko;Ohnishi,Yuki;Horikawa,Eiji;Konakahara,Takeo;Kodaka,Masato;Okuno,Hiroaki[TetrahedronLetters,2003,vol.44,#29,p.5445-5448]

Literature
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Tags:58656-99-8 Molecular Formula|58656-99-8 MDL|58656-99-8 SMILES|58656-99-8 tert-Butyl 3-nitrobenzoate