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39221-42-6,MFCD00664645
Catalog No.:AA00BYXD

39221-42-6 | 2-(1-Oxo-1,3-dihydro-2h-isoindol-2-yl)acetic acid

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$107.00   $75.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
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Technical Information
Catalog Number:
AA00BYXD
Chemical Name:
2-(1-Oxo-1,3-dihydro-2h-isoindol-2-yl)acetic acid
CAS Number:
39221-42-6
Molecular Formula:
C10H9NO3
Molecular Weight:
191.1834
MDL Number:
MFCD00664645
SMILES:
OC(=O)CN1Cc2c(C1=O)cccc2
Properties
Computed Properties
 
Complexity:
264  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
0.6  

Downstream Synthesis Route

[1]Locationinpatent:schemeortableKrysko,AndreiA.;Samoylenko,GeorgiyV.;Polishchuk,PavelG.;Andronati,SergeiA.;Kabanova,TatyanaA.;Khristova,TetianaM.;Kuz'Min,VictorE.;Kabanov,VladimirM.;Krysko,OlgaL.;Varnek,AlexandreA.;Grygorash,RuslanYa.[BioorganicandMedicinalChemistryLetters,2011,vol.21,#19,p.5971-5974]

[2]Krysko,AndreiA.;Samoylenko,GeorgiyV.;Polishchuk,PavelG.;Fonari,MarinaS.;Kravtsov,VictorCh.;Andronati,SergeiA.;Kabanova,TatyanaA.;Lipkowski,Janusz;Khristova,TetianaM.;Kuz'Min,VictorE.;Kabanov,VladimirM.;Krysko,OlgaL.;Varnek,AlexandreA.[BioorganicandMedicinalChemistry,2013,vol.21,#15,p.4646-4661]

[3]Gridina,TatyanaL.;Fedchuk,AllaS.;Basok,StephanS.;Artemenko,AnatoliyG.;Ognichenko,LiudmilaN.;Shitikova,LarisaI.;Lutsyuk,AnatoliiF.;Gruzevskii,AleksandrA.;Kuz’min,VictorE.[ChemistryofHeterocyclicCompounds,2019,vol.55,#4-5,p.455-462][Khim.Geterotsikl.Soedin.,2019,vol.44,#4-5,p.455-462,8]

[1]Roberts,MaxineP.;Nguyen,Vu;Ashford,MarkE.;Berghofer,Paula;Wyatt,NaomiA.;Krause-Heuer,AnwenM.;Pham,TienQ.;Taylor,StephenR.;Hogan,Leena;Jiang,CathyD.;Fraser,BenjaminH.;Lengkeek,NigelA.;Matesic,Lidia;Gregoire,Marie-Claude;Denoyer,Delphine;Hicks,RodneyJ.;Katsifis,Andrew;Greguric,Ivan[JournalofMedicinalChemistry,2015,vol.58,#15,p.6214-6224]

[2]Taylor,StephenR.;Roberts,MaxineP.;Wyatt,NaomiA.;Pham,TienQ.;Stark,Daniela;Bourdier,Thomas;Roselt,Peter;Katsifis,Andrew;Greguric,Ivan[AustralianJournalofChemistry,2013,vol.66,#4,p.491-499]

39221-42-6    665-66-7   
N-(adamantan-1-yl)-2-(1-oxoisoindolin-2-yl)acetamide 

[1]BioorganicandMedicinalChemistry,2014,vol.22,p.5988-6003

[1]Roberts,MaxineP.;Nguyen,Vu;Ashford,MarkE.;Berghofer,Paula;Wyatt,NaomiA.;Krause-Heuer,AnwenM.;Pham,TienQ.;Taylor,StephenR.;Hogan,Leena;Jiang,CathyD.;Fraser,BenjaminH.;Lengkeek,NigelA.;Matesic,Lidia;Gregoire,Marie-Claude;Denoyer,Delphine;Hicks,RodneyJ.;Katsifis,Andrew;Greguric,Ivan[JournalofMedicinalChemistry,2015,vol.58,#15,p.6214-6224]

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Tags:39221-42-6 Molecular Formula|39221-42-6 MDL|39221-42-6 SMILES|39221-42-6 2-(1-Oxo-1,3-dihydro-2h-isoindol-2-yl)acetic acid