Home Nitro Compounds 18222-17-8
18222-17-8,MFCD11110422
Catalog No.:AA0023FD

18222-17-8 | 3-Methyl-5-nitroisoquinoline

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100mg
95+%
1 week  
$17.00   $12.00
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250mg
95+%
1 week  
$39.00   $27.00
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1g
95+%
1 week  
$153.00   $108.00
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  • Technical Information
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  • Downstream Synthesis Route
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
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Technical Information
Catalog Number:
AA0023FD
Chemical Name:
3-Methyl-5-nitroisoquinoline
CAS Number:
18222-17-8
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
MDL Number:
MFCD11110422
SMILES:
Cc1ncc2c(c1)c(ccc2)[N+](=O)[O-]
NSC Number:
121332
Properties
Computed Properties
 
Complexity:
227  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
XLogP3:
2.3  

Downstream Synthesis Route

[1]Elderfieldetal.[JournalofOrganicChemistry,1958,vol.23,p.435,442]Bergstrom;Paterson[JournalofOrganicChemistry,1945,vol.10,p.479,480]

[2]CurrentPatentAssignee:MERCK&COINC-WO2004/46133,2004,A1Locationinpatent:Page23

[1]CurrentPatentAssignee:EVOTECAG-US2006/194801,2006,A1Locationinpatent:Page/Pagecolumn53

[2]CurrentPatentAssignee:EVOTECAG-US2006/205773,2006,A1Locationinpatent:Page/Pagecolumn29

[3]Perner,RichardJ.;DiDomenico,Stanley;Koenig,JohnR.;Gomtsyan,Arthur;Bayburt,ErolK.;Schmidt,RobertG.;Drizin,Irene;Guo,ZhuZheng;Turner,SeanC.;Jinkerson,Tammie;Brown,BrianS.;Keddy,RyanG.;Lukin,Kurill;McDonald,HeathA.;Honore,Prisca;Mikusa,Joe;Marsh,KennanC.;Wetter,JillM.;St.George,Karen;Jarvis,MichaelF.;Faltynek,ConnieR.;Lee,Chih-Hung[JournalofMedicinalChemistry,2007,vol.50,#15,p.3651-3660]

[4]CurrentPatentAssignee:ABBVIEINC-WO2010/45401,2010,A1Locationinpatent:Page/Pagecolumn59

[5]CurrentPatentAssignee:ABBVIEINC-WO2010/45402,2010,A1Locationinpatent:Page/Pagecolumn57-58

[6]Bellizzi,MaryE.;Bhatia,AshokV.;Cullen,StevenC.;Gandarilla,Jorge;Kruger,AlbertW.;Welch,DennieS.[OrganicProcessResearchandDevelopment,2014,vol.18,#2,p.303-309]

[7]Elderfieldetal.[JournalofOrganicChemistry,1958,vol.23,p.435,442]

[8]Bergstrom;Paterson[JournalofOrganicChemistry,1945,vol.10,p.479,480]

[9]CurrentPatentAssignee:MERCK&COINC-WO2004/46133,2004,A1Locationinpatent:Page23-24

[10]CurrentPatentAssignee:GruenenthalPharmaGmbH&Co.Kommanditgesellschaft-WO2010/127855,2010,A1Locationinpatent:Page/Pagecolumn139

[1]Elderfieldetal.[JournalofOrganicChemistry,1958,vol.23,p.435,442]

18222-17-8    74-89-5   
8-amino-3-methyl-5-nitroisoquinoline 
 
3-methyl-8-(methylamino)-5-nitroisoquinoline 
 
3-methyl-6-(methylamino)-5-nitroisoquinoline 

[1]Wozniak,Marian;Nowak,Krystyna[LiebigsAnnalenderChemie,1994,#4,p.355-360]

[1]Wozniak,Marian;Baranski,Andrzej;Nowak,Krystyna;Poradowska,Henryka[LiebigsAnnalenderChemie,1990,#7,p.653-657]

Literature
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Tags:18222-17-8 Molecular Formula|18222-17-8 MDL|18222-17-8 SMILES|18222-17-8 3-Methyl-5-nitroisoquinoline