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Home Fluorides 579474-18-3
579474-18-3,MFCD03844716
Catalog No.:AA00EK8Y

579474-18-3 | tert-Butyl 2-nitro-4-(trifluoromethyl)phenylcarbamate

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1g
95%
in stock  
$220.00   $154.00
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5g
95%
in stock  
$685.00   $480.00
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  • Technical Information
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  • Downstream Synthesis Route
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00EK8Y
Chemical Name:
tert-Butyl 2-nitro-4-(trifluoromethyl)phenylcarbamate
CAS Number:
579474-18-3
Molecular Formula:
C12H13F3N2O4
Molecular Weight:
306.2378
MDL Number:
MFCD03844716
SMILES:
O=C(OC(C)(C)C)Nc1ccc(cc1[N+](=O)[O-])C(F)(F)F
Properties
Computed Properties
 
Complexity:
401  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
3.4  

Downstream Synthesis Route

[1]CurrentPatentAssignee:ROCHEHOLDINGAG-US2003/166639,2003,A1

[2]Locationinpatent:schemeortableCole,AndrewG.;Bohnstedt,AdolphC.;Paradkar,Vidyadhar;Kingsbury,Celia;Quintero,JorgeG.;Park,Haengsoon;Lu,Yingchun;You,Ming;Neagu,Irina;Diller,DavidJ.;Letourneau,JeffreyJ.;Shao,Yuefei;James,RayA.;Riviello,ChristopherM.;Ho,Koc-Kan;Lin,TsungH.;Wang,Bojing;Appell,KennethC.;Sills,Matthew;Quadros,Elizabeth;Kimble,EarlF.;Ohlmeyer,MichaelH.J.;Webb,MariaL.[BioorganicandMedicinalChemistryLetters,2009,vol.19,#23,p.6788-6792]

[3]Abdelsalam,Mohamed;Bülbül,EmreF.;Barinka,Cyril;Erdmann,Frank;Fischer,MartenA.;Ibrahim,HanyS.;Krämer,OliverH.;Mustafa,Al-HassanM.;Robaa,Dina;Romier,Christophe;Schmidt,Matthias;Schutkowski,Mike;Sippl,Wolfgang;Sun,Ping;Vecchio,Anita;Zessin,Matthes;Zeyen,Patrik;Zeyn,Yanira[InternationalJournalofMolecularSciences,2022,vol.23,#1]

[1]CurrentPatentAssignee:ROCHEHOLDINGAG-US2003/166639,2003,A1

[2]Locationinpatent:schemeortableCole,AndrewG.;Bohnstedt,AdolphC.;Paradkar,Vidyadhar;Kingsbury,Celia;Quintero,JorgeG.;Park,Haengsoon;Lu,Yingchun;You,Ming;Neagu,Irina;Diller,DavidJ.;Letourneau,JeffreyJ.;Shao,Yuefei;James,RayA.;Riviello,ChristopherM.;Ho,Koc-Kan;Lin,TsungH.;Wang,Bojing;Appell,KennethC.;Sills,Matthew;Quadros,Elizabeth;Kimble,EarlF.;Ohlmeyer,MichaelH.J.;Webb,MariaL.[BioorganicandMedicinalChemistryLetters,2009,vol.19,#23,p.6788-6792]

[3]Abdelsalam,Mohamed;Bülbül,EmreF.;Barinka,Cyril;Erdmann,Frank;Fischer,MartenA.;Ibrahim,HanyS.;Krämer,OliverH.;Mustafa,Al-HassanM.;Robaa,Dina;Romier,Christophe;Schmidt,Matthias;Schutkowski,Mike;Sippl,Wolfgang;Sun,Ping;Vecchio,Anita;Zessin,Matthes;Zeyen,Patrik;Zeyn,Yanira[InternationalJournalofMolecularSciences,2022,vol.23,#1]

579474-18-3   
N‐(2‐amino‐5‐(trifluoromethyl)phenyl)‐5‐(piperazin‐1‐yl)pyrazine‐2‐carboxamide 

[1]Abdelsalam,Mohamed;Bülbül,EmreF.;Barinka,Cyril;Erdmann,Frank;Fischer,MartenA.;Ibrahim,HanyS.;Krämer,OliverH.;Mustafa,Al-HassanM.;Robaa,Dina;Romier,Christophe;Schmidt,Matthias;Schutkowski,Mike;Sippl,Wolfgang;Sun,Ping;Vecchio,Anita;Zessin,Matthes;Zeyen,Patrik;Zeyn,Yanira[InternationalJournalofMolecularSciences,2022,vol.23,#1]

579474-18-3   
C26H33F3N6O5 

[1]Abdelsalam,Mohamed;Bülbül,EmreF.;Barinka,Cyril;Erdmann,Frank;Fischer,MartenA.;Ibrahim,HanyS.;Krämer,OliverH.;Mustafa,Al-HassanM.;Robaa,Dina;Romier,Christophe;Schmidt,Matthias;Schutkowski,Mike;Sippl,Wolfgang;Sun,Ping;Vecchio,Anita;Zessin,Matthes;Zeyen,Patrik;Zeyn,Yanira[InternationalJournalofMolecularSciences,2022,vol.23,#1]

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Tags:579474-18-3 Molecular Formula|579474-18-3 MDL|579474-18-3 SMILES|579474-18-3 tert-Butyl 2-nitro-4-(trifluoromethyl)phenylcarbamate