188121-31-5,MFCD11848649
Catalog No.:AA002GN6

188121-31-5 | 6-Methyl-5-nitroisoquinoline

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$17.00   $12.00
- +
1g
95%
in stock  
$42.00   $30.00
- +
5g
95%
in stock  
$67.00   $47.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA002GN6
Chemical Name:
6-Methyl-5-nitroisoquinoline
CAS Number:
188121-31-5
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
MDL Number:
MFCD11848649
SMILES:
[O-][N+](=O)c1c(C)ccc2c1ccnc2
Properties
Computed Properties
 
Complexity:
227  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
0  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.3  

Downstream Synthesis Route
123-75-1    188121-31-5    4637-24-5   
5-Nitro-6-((E)-2-pyrrolidin-1-yl-vinyl)-isoquinoline 

[1]Adams,DavidR.;Bentley,JonathanM.;Benwell,KarenR.;Bickerdike,MichaelJ.;Bodkin,CorinnaD.;Cliffe,IanA.;Dourish,ColinT.;George,AshleyR.;Kennett,GuyA.;Knight,AntonyR.;Malcolm,CraigS.;Mansell,HowardL.;Misra,Anil;Quirk,Kathleen;Roffey,JonathanR.A.;Vickers,StevenP.[BioorganicandMedicinalChemistryLetters,2006,vol.16,#3,p.677-680]

[1]Adams,DavidR.;Bentley,JonathanM.;Benwell,KarenR.;Bickerdike,MichaelJ.;Bodkin,CorinnaD.;Cliffe,IanA.;Dourish,ColinT.;George,AshleyR.;Kennett,GuyA.;Knight,AntonyR.;Malcolm,CraigS.;Mansell,HowardL.;Misra,Anil;Quirk,Kathleen;Roffey,JonathanR.A.;Vickers,StevenP.[BioorganicandMedicinalChemistryLetters,2006,vol.16,#3,p.677-680]

[2]Smith,AdrianL.;DeMorin,FrenelF.;Paras,NickA.;Huang,Qi;Petkus,JeffreyK.;Doherty,ElizabethM.;Nixey,Thomas;Kim,JosephL.;Whittington,DouglasA.;Epstein,LindaF.;Lee,MatthewR.;Rose,MarkJ.;Babij,Carol;Fernando,Manory;Hess,Kristen;Le,Quynh;Beltran,Pedro;Carnahan,Josette[JournalofMedicinalChemistry,2009,vol.52,#20,p.6189-6192]

[3]CurrentPatentAssignee:AMGENINC-WO2008/153947,2008,A2Locationinpatent:Page/Pagecolumn54

[4]CurrentPatentAssignee:HANMIPHARMCOLTD-WO2013/100632,2013,A1Locationinpatent:Page/Pagecolumn32

[5]CurrentPatentAssignee:HANMIPHARMCOLTD-US2014/371219,2014,A1Locationinpatent:Paragraph0218;0219

[6]CurrentPatentAssignee:HANMIPHARMCOLTD-EP2876107,2015,A1Locationinpatent:Paragraph0073

[7]CurrentPatentAssignee:HANMIPHARMCOLTD-US2015/191450,2015,A1Locationinpatent:Paragraph0145;0146

[8]CurrentPatentAssignee:AMGENINC-WO2007/76092,2007,A2Locationinpatent:Page/Pagecolumn65-66

[9]Assadieskandar,Amir;Yu,Caiqun;Maisonneuve,Pierre;Kurinov,Igor;Sicheri,Frank;Zhang,Chao[ACSMedicinalChemistryLetters,2019,vol.10,#7,p.1074-1080]

[1]Adams,DavidR.;Bentley,JonathanM.;Benwell,KarenR.;Bickerdike,MichaelJ.;Bodkin,CorinnaD.;Cliffe,IanA.;Dourish,ColinT.;George,AshleyR.;Kennett,GuyA.;Knight,AntonyR.;Malcolm,CraigS.;Mansell,HowardL.;Misra,Anil;Quirk,Kathleen;Roffey,JonathanR.A.;Vickers,StevenP.[BioorganicandMedicinalChemistryLetters,2006,vol.16,#3,p.677-680]

188121-31-5   
1-methyl-2-pyrrolo2,3-<i>f</i>isoquinolin-1-yl-ethylamine 

[1]Adams,DavidR.;Bentley,JonathanM.;Benwell,KarenR.;Bickerdike,MichaelJ.;Bodkin,CorinnaD.;Cliffe,IanA.;Dourish,ColinT.;George,AshleyR.;Kennett,GuyA.;Knight,AntonyR.;Malcolm,CraigS.;Mansell,HowardL.;Misra,Anil;Quirk,Kathleen;Roffey,JonathanR.A.;Vickers,StevenP.[BioorganicandMedicinalChemistryLetters,2006,vol.16,#3,p.677-680]

[1]Adams,DavidR.;Bentley,JonathanM.;Benwell,KarenR.;Bickerdike,MichaelJ.;Bodkin,CorinnaD.;Cliffe,IanA.;Dourish,ColinT.;George,AshleyR.;Kennett,GuyA.;Knight,AntonyR.;Malcolm,CraigS.;Mansell,HowardL.;Misra,Anil;Quirk,Kathleen;Roffey,JonathanR.A.;Vickers,StevenP.[BioorganicandMedicinalChemistryLetters,2006,vol.16,#3,p.677-680]

Literature

Title: Selective ortho methylation of nitroheteroaryls by vicarious nucleophilic substitution.

Journal: The Journal of organic chemistry 20080905

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SDS
Tags:188121-31-5 Molecular Formula|188121-31-5 MDL|188121-31-5 SMILES|188121-31-5 6-Methyl-5-nitroisoquinoline
Catalog No.: AA002GN6
188121-31-5,MFCD11848649
188121-31-5 | 6-Methyl-5-nitroisoquinoline
Pack Size: 250mg
Purity: 95%
in stock
$17.00 $12.00
Pack Size: 1g
Purity: 95%
in stock
$42.00 $30.00
Pack Size: 5g
Purity: 95%
in stock
$67.00 $47.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA002GN6
Chemical Name: 6-Methyl-5-nitroisoquinoline
CAS Number: 188121-31-5
Molecular Formula: C10H8N2O2
Molecular Weight: 188.1827
MDL Number: MFCD11848649
SMILES: [O-][N+](=O)c1c(C)ccc2c1ccnc2
Properties
Complexity: 227  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 14  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 0  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.3  
Downstream Synthesis Route
123-75-1    188121-31-5    4637-24-5   
5-Nitro-6-((E)-2-pyrrolidin-1-yl-vinyl)-isoquinoline 

[1]Adams,DavidR.;Bentley,JonathanM.;Benwell,KarenR.;Bickerdike,MichaelJ.;Bodkin,CorinnaD.;Cliffe,IanA.;Dourish,ColinT.;George,AshleyR.;Kennett,GuyA.;Knight,AntonyR.;Malcolm,CraigS.;Mansell,HowardL.;Misra,Anil;Quirk,Kathleen;Roffey,JonathanR.A.;Vickers,StevenP.[BioorganicandMedicinalChemistryLetters,2006,vol.16,#3,p.677-680]

42398-73-2    188121-31-5 

[1]Adams,DavidR.;Bentley,JonathanM.;Benwell,KarenR.;Bickerdike,MichaelJ.;Bodkin,CorinnaD.;Cliffe,IanA.;Dourish,ColinT.;George,AshleyR.;Kennett,GuyA.;Knight,AntonyR.;Malcolm,CraigS.;Mansell,HowardL.;Misra,Anil;Quirk,Kathleen;Roffey,JonathanR.A.;Vickers,StevenP.[BioorganicandMedicinalChemistryLetters,2006,vol.16,#3,p.677-680]

[2]Smith,AdrianL.;DeMorin,FrenelF.;Paras,NickA.;Huang,Qi;Petkus,JeffreyK.;Doherty,ElizabethM.;Nixey,Thomas;Kim,JosephL.;Whittington,DouglasA.;Epstein,LindaF.;Lee,MatthewR.;Rose,MarkJ.;Babij,Carol;Fernando,Manory;Hess,Kristen;Le,Quynh;Beltran,Pedro;Carnahan,Josette[JournalofMedicinalChemistry,2009,vol.52,#20,p.6189-6192]

[3]CurrentPatentAssignee:AMGENINC-WO2008/153947,2008,A2Locationinpatent:Page/Pagecolumn54

[4]CurrentPatentAssignee:HANMIPHARMCOLTD-WO2013/100632,2013,A1Locationinpatent:Page/Pagecolumn32

[5]CurrentPatentAssignee:HANMIPHARMCOLTD-US2014/371219,2014,A1Locationinpatent:Paragraph0218;0219

[6]CurrentPatentAssignee:HANMIPHARMCOLTD-EP2876107,2015,A1Locationinpatent:Paragraph0073

[7]CurrentPatentAssignee:HANMIPHARMCOLTD-US2015/191450,2015,A1Locationinpatent:Paragraph0145;0146

[8]CurrentPatentAssignee:AMGENINC-WO2007/76092,2007,A2Locationinpatent:Page/Pagecolumn65-66

[9]Assadieskandar,Amir;Yu,Caiqun;Maisonneuve,Pierre;Kurinov,Igor;Sicheri,Frank;Zhang,Chao[ACSMedicinalChemistryLetters,2019,vol.10,#7,p.1074-1080]

188121-31-5    260049-33-0 

[1]Adams,DavidR.;Bentley,JonathanM.;Benwell,KarenR.;Bickerdike,MichaelJ.;Bodkin,CorinnaD.;Cliffe,IanA.;Dourish,ColinT.;George,AshleyR.;Kennett,GuyA.;Knight,AntonyR.;Malcolm,CraigS.;Mansell,HowardL.;Misra,Anil;Quirk,Kathleen;Roffey,JonathanR.A.;Vickers,StevenP.[BioorganicandMedicinalChemistryLetters,2006,vol.16,#3,p.677-680]

188121-31-5   
1-methyl-2-pyrrolo2,3-<i>f</i>isoquinolin-1-yl-ethylamine 

[1]Adams,DavidR.;Bentley,JonathanM.;Benwell,KarenR.;Bickerdike,MichaelJ.;Bodkin,CorinnaD.;Cliffe,IanA.;Dourish,ColinT.;George,AshleyR.;Kennett,GuyA.;Knight,AntonyR.;Malcolm,CraigS.;Mansell,HowardL.;Misra,Anil;Quirk,Kathleen;Roffey,JonathanR.A.;Vickers,StevenP.[BioorganicandMedicinalChemistryLetters,2006,vol.16,#3,p.677-680]

188121-31-5    260049-34-1 

[1]Adams,DavidR.;Bentley,JonathanM.;Benwell,KarenR.;Bickerdike,MichaelJ.;Bodkin,CorinnaD.;Cliffe,IanA.;Dourish,ColinT.;George,AshleyR.;Kennett,GuyA.;Knight,AntonyR.;Malcolm,CraigS.;Mansell,HowardL.;Misra,Anil;Quirk,Kathleen;Roffey,JonathanR.A.;Vickers,StevenP.[BioorganicandMedicinalChemistryLetters,2006,vol.16,#3,p.677-680]

Literature fold

Title: Selective ortho methylation of nitroheteroaryls by vicarious nucleophilic substitution.

Journal: The Journal of organic chemistry20080905

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