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444620-69-3,MFCD12912144
Catalog No.:AA00DCRI

444620-69-3 | tert-butyl 4-(isoquinolin-5-yl)piperazine-1-carboxylate

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Purity
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100mg
95%
2 weeks  
$229.00   $160.00
- +
250mg
95%
2 weeks  
$348.00   $244.00
- +
500mg
95%
2 weeks  
$472.00   $330.00
- +
1g
95%
2 weeks  
$650.00   $455.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00DCRI
Chemical Name:
tert-butyl 4-(isoquinolin-5-yl)piperazine-1-carboxylate
CAS Number:
444620-69-3
Molecular Formula:
C18H23N3O2
Molecular Weight:
313.3941
MDL Number:
MFCD12912144
SMILES:
O=C(N1CCN(CC1)c1cccc2c1ccnc2)OC(C)(C)C
Properties
Properties
 
BP:
476.2°C at 760 mmHg  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
413  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
4  
Rotatable Bond Count:
3  
XLogP3:
2.9  

Downstream Synthesis Route

[1]CurrentPatentAssignee:BIOCONLIMITED;BRISTOL-MYERSSQUIBBCO-WO2013/56060,2013,A1Locationinpatent:Paragraph00267

[2]Fisher,MatthewJ.;Backer,RyanT.;Husain,Saba;Hsiung,HansenM.;Mullaney,JeffreyT.;O'Brian,ThomasP.;Ornstein,PaulL.;Rothhaar,RogerR.;Zgombick,JohnM.;Briner,Karin[BioorganicandMedicinalChemistryLetters,2005,vol.15,#20,p.4459-4462]

[3]CurrentPatentAssignee:ROCHEHOLDINGAG-US2004/180874,2004,A1Locationinpatent:Page/Pagecolumn18-19

[4]Pinto,DonaldJ.P.;Orwat,MichaelJ.;Smith,LeonM.;Quan,MimiL.;Lam,PatrickY.S.;Rossi,KarenA.;Apedo,Atsu;Bozarth,JeffreyM.;Wu,Yiming;Zheng,JoannaJ.;Xin,Baomin;Toussaint,Nathalie;Stetsko,Paul;Gudmundsson,Olafur;Maxwell,Brad;Crain,EarlJ.;Wong,PancrasC.;Lou,Zhen;Harper,TimothyW.;Chacko,SilviA.;Myers,JosephE.;Sheriff,Steven;Zhang,Huiping;Hou,Xiaoping;Mathur,Arvind;Seiffert,DietmarA.;Wexler,RuthR.;Luettgen,JosephM.;Ewing,WilliamR.[JournalofMedicinalChemistry,2017,vol.60,#23,p.9703-9723]

[1]Fisher,MatthewJ.;Backer,RyanT.;Husain,Saba;Hsiung,HansenM.;Mullaney,JeffreyT.;O'Brian,ThomasP.;Ornstein,PaulL.;Rothhaar,RogerR.;Zgombick,JohnM.;Briner,Karin[BioorganicandMedicinalChemistryLetters,2005,vol.15,#20,p.4459-4462]

[1]Kling,Andreas;Lange,UdoE.W.;Mack,Helmut;Bakker,MargotH.M.;Drescher,KarlaU.;Hornberger,Wilfried;Hutchins,CharlesW.;Moeller,Achim;Mueller,Reinhold;Schmidt,Martin;Unger,Liliane;Wicke,Karsten;Schellhaas,Kurt;Steiner,Gerd[BioorganicandMedicinalChemistryLetters,2005,vol.15,#24,p.5567-5573]

[2]CurrentPatentAssignee:ROCHEHOLDINGAG-US2004/180874,2004,A1Locationinpatent:Page/Pagecolumn18-19

444620-69-3    76-05-1   
5-piperazin-1-yl-isoquinoline,trifluoroaceticacidsalt 

[1]Kling,Andreas;Lange,UdoE.W.;Mack,Helmut;Bakker,MargotH.M.;Drescher,KarlaU.;Hornberger,Wilfried;Hutchins,CharlesW.;Moeller,Achim;Mueller,Reinhold;Schmidt,Martin;Unger,Liliane;Wicke,Karsten;Schellhaas,Kurt;Steiner,Gerd[BioorganicandMedicinalChemistryLetters,2005,vol.15,#24,p.5567-5573]

[1]Kling,Andreas;Lange,UdoE.W.;Mack,Helmut;Bakker,MargotH.M.;Drescher,KarlaU.;Hornberger,Wilfried;Hutchins,CharlesW.;Moeller,Achim;Mueller,Reinhold;Schmidt,Martin;Unger,Liliane;Wicke,Karsten;Schellhaas,Kurt;Steiner,Gerd[BioorganicandMedicinalChemistryLetters,2005,vol.15,#24,p.5567-5573]

Literature
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SDS
Tags:444620-69-3 Molecular Formula|444620-69-3 MDL|444620-69-3 SMILES|444620-69-3 tert-butyl 4-(isoquinolin-5-yl)piperazine-1-carboxylate