Home Fluorides 801306-55-8
801306-55-8,MFCD09927614
Catalog No.:AA008NCI

801306-55-8 | 1-(3-(Trifluoromethyl)pyridin-2-yl)piperidin-4-one

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Purity
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250mg
95%
in stock  
$39.00   $28.00
- +
1g
98%
in stock  
$137.00   $96.00
- +
5g
98%
in stock  
$444.00   $311.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA008NCI
Chemical Name:
1-(3-(Trifluoromethyl)pyridin-2-yl)piperidin-4-one
CAS Number:
801306-55-8
Molecular Formula:
C11H11F3N2O
Molecular Weight:
244.2130
MDL Number:
MFCD09927614
SMILES:
O=C1CCN(CC1)c1ncccc1C(F)(F)F
Properties
Computed Properties
 
Complexity:
283  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Rotatable Bond Count:
1  
XLogP3:
1.6  

Downstream Synthesis Route

[1]Brown,BrianS.;Keddy,Ryan;Zheng,GuoZhu;Schmidt,RobertG.;Koenig,JohnR.;McDonald,HeathA.;Bianchi,BruceR.;Honore,Prisca;Jarvis,MichaelF.;Surowy,CarolS.;Polakowski,JamesS.;Marsh,KennanC.;Faltynek,ConnieR.;Lee,Chih-Hung[BioorganicandMedicinalChemistry,2008,vol.16,#18,p.8516-8525]

[2]CurrentPatentAssignee:ABBVIEINC-US2005/80095,2005,A1Locationinpatent:Page/Pagecolumn20-21;22

[3]CurrentPatentAssignee:ABBOTTLABORATORIESINC-US2005/9841,2005,A1Locationinpatent:Page/Pagecolumn18

[1]CurrentPatentAssignee:ABBVIEINC-US2005/80095,2005,A1Locationinpatent:Page/Pagecolumn21

[1]Brown,BrianS.;Keddy,Ryan;Zheng,GuoZhu;Schmidt,RobertG.;Koenig,JohnR.;McDonald,HeathA.;Bianchi,BruceR.;Honore,Prisca;Jarvis,MichaelF.;Surowy,CarolS.;Polakowski,JamesS.;Marsh,KennanC.;Faltynek,ConnieR.;Lee,Chih-Hung[BioorganicandMedicinalChemistry,2008,vol.16,#18,p.8516-8525]

[2]CurrentPatentAssignee:ABBVIEINC-US2005/80095,2005,A1Locationinpatent:Page/Pagecolumn22-23

[1]CurrentPatentAssignee:EISAICOLTD-EP1627869,2006,A1Locationinpatent:Page/Pagecolumn26-27

[1]Locationinpatent:schemeortableLebsack,AlecD.;Rech,JasonC.;Branstetter,BryanJ.;Hawryluk,NatalieA.;Merit,JeffreyE.;Allison,Brett;Rynberg,Raymond;Buma,Johnathan;Rizzolio,Michele;Swanson,Nadia;Ao,Hong;Maher,MichaelP.;Herrmann,Michelle;Freedman,Jamie;Scott,BrianP.;Luo,Lin;Bhattacharya,Anindya;Wang,Qi;Chaplan,SandraR.;Wickenden,AlanD.;Breitenbucher,J.Guy[BioorganicandMedicinalChemistryLetters,2010,vol.20,#23,p.7142-7146]

[2]CurrentPatentAssignee:EISAICOLTD-EP1627869,2006,A1Locationinpatent:Page/Pagecolumn26

[3]Locationinpatent:schemeortableHawryluk,NatalieA.;Merit,JeffreyE.;Lebsack,AlecD.;Branstetter,BryanJ.;Hack,MichaelD.;Swanson,Nadia;Ao,Hong;Maher,MichaelP.;Bhattacharya,Anindya;Wang,Qi;Freedman,JamieM.;Scott,BrianP.;Wickenden,AlanD.;Chaplan,SandraR.;Breitenbucher,J.Guy[BioorganicandMedicinalChemistryLetters,2010,vol.20,#23,p.7137-7141]

Literature
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Tags:801306-55-8 Molecular Formula|801306-55-8 MDL|801306-55-8 SMILES|801306-55-8 1-(3-(Trifluoromethyl)pyridin-2-yl)piperidin-4-one