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1022931-73-2,MFCD11044975
Catalog No.:AA00071Z

1022931-73-2 | tert-Butyl 3-(trifluoromethyl)-1h,4h,5h,6h,7h-pyrazolo[4,3-c]pyridine-5-carboxylate

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Purity
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500mg
97%
in stock  
$172.00   $120.00
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1g
97%
in stock  
$234.00   $164.00
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2.5g
97%
in stock  
$440.00   $308.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00071Z
Chemical Name:
tert-Butyl 3-(trifluoromethyl)-1h,4h,5h,6h,7h-pyrazolo[4,3-c]pyridine-5-carboxylate
CAS Number:
1022931-73-2
Molecular Formula:
C12H16F3N3O2
Molecular Weight:
291.2695
MDL Number:
MFCD11044975
SMILES:
O=C(N1CCc2c(C1)c(n[nH]2)C(F)(F)F)OC(C)(C)C
Properties
Computed Properties
 
Complexity:
381  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
1.9  

Downstream Synthesis Route
(R)-N-(5-(chloromethyl)-2,3-dihydro-1H-inden-2-yl)propane-2-sulfonamide 
  1022931-73-2   
C25H33F3N4O4S 

[1]CurrentPatentAssignee:MERCK&COINC-WO2009/147167,2009,A1Locationinpatent:Page/Pagecolumn44-45

1199828-60-8    1022931-73-2   
C25H33F3N4O4S 

[1]CurrentPatentAssignee:MERCK&COINC-WO2009/147167,2009,A1Locationinpatent:Page/Pagecolumn48

[1]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-US2010/137276,2010,A1Locationinpatent:Page/Pagecolumn28

tert-butyl4-oxo-3-(2,2,2-trifluoroacetyl)piperidine-1-carboxylate 
  1022931-73-2 

[1]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-US2010/137276,2010,A1Locationinpatent:Page/Pagecolumn20

[2]Locationinpatent:schemeortableJamieson,Craig;Campbell,RobertA.;Cumming,IainA.;Gillen,KevinJ.;Gillespie,Jonathan;Kazemier,Bert;Kiczun,Michael;Lamont,Yvonne;Lyons,AmandaJ.;MacLean,JohnK.F.;Martin,Frederic;Moir,ElizabethM.;Morrow,JohnA.;Pantling,John;Rankovic,Zoran;Smith,Lynn[BioorganicandMedicinalChemistryLetters,2010,vol.20,#20,p.6072-6075]

[1]Locationinpatent:schemeortableJamieson,Craig;Campbell,RobertA.;Cumming,IainA.;Gillen,KevinJ.;Gillespie,Jonathan;Kazemier,Bert;Kiczun,Michael;Lamont,Yvonne;Lyons,AmandaJ.;MacLean,JohnK.F.;Martin,Frederic;Moir,ElizabethM.;Morrow,JohnA.;Pantling,John;Rankovic,Zoran;Smith,Lynn[BioorganicandMedicinalChemistryLetters,2010,vol.20,#20,p.6072-6075]

Literature
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SDS
Tags:1022931-73-2 Molecular Formula|1022931-73-2 MDL|1022931-73-2 SMILES|1022931-73-2 tert-Butyl 3-(trifluoromethyl)-1h,4h,5h,6h,7h-pyrazolo[4,3-c]pyridine-5-carboxylate