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5004-48-8,MFCD00024098
Catalog No.:AA006WAK

5004-48-8 | 4-Methylphthalazin-1(2h)-one

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Purity
Availability
Price(USD)
Quantity
  
100mg
98%
in stock  
$17.00   $12.00
- +
250mg
98%
in stock  
$21.00   $15.00
- +
1g
98%
in stock  
$25.00   $18.00
- +
5g
98%
in stock  
$109.00   $76.00
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10g
95%
in stock  
$207.00   $145.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA006WAK
Chemical Name:
4-Methylphthalazin-1(2h)-one
CAS Number:
5004-48-8
Molecular Formula:
C9H8N2O
Molecular Weight:
160.1726
MDL Number:
MFCD00024098
SMILES:
O=c1[nH]nc(c2c1cccc2)C
NSC Number:
116342
Properties
Properties
 
BP:
423.3°C at 760 mmHg  
Form:
Solid  
MP:
223-224°C  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
235  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
XLogP3:
1  

Downstream Synthesis Route

[1]Allart,Brigitte;Auberval,Marielle;Blanc,Javier;Borgonovi,Monica;Brys,Reginald;Bucher,Denis;Christophe,Thierry;Coornaert,Beatrice;DeWachter,Maxim;Duys,Inge;ElBkassiny,Sandy;Heckmann,Bertrand;Houvenaghel,Nicolas;Jagerschmidt,Catherine;Jans,Mia;Jansen,Koen;Jaunet,Alex;Lecru,Lola;Letfus,Vatroslav;Mammoliti,Oscar;Marsais,Florence;Menet,Christel;Oste,Line;Palisse,Adeline;Poljak,Tanja;Pujuguet,Philippe;Rupcic,Renata;Saniere,Laurent;Smehil,Mario;Sonck,Kathleen;Triballeau,Nicolas;Tricarico,Giovanni;Waeckel,Ludovic;Wakselman,Emanuelle[JournalofMedicinalChemistry,2021,vol.64,#19,p.14557-14586]

[2]Lee,Byeongno;Kang,Philjun;Lee,KyuHyung;Cho,Jaeheung;Nam,Wonwoo;Lee,WonKoo;Hur,NamHwi[TetrahedronLetters,2013,vol.54,#11,p.1384-1388]

[3]CurrentPatentAssignee:SOGANGUNIVERSITY-KR101483445,2015,B1Locationinpatent:Paragraph0308;0349-0351

[4]Vila,Noemí;Besada,Pedro;Viña,Dolores;Sturlese,Mattia;Moro,Stefano;Terán,Carmen[RSCAdvances,2016,vol.6,#52,p.46170-46185]

[5]Yamaguchi;Kamei;Koga;Akima;Kuroki;Ohi[JournalofMedicinalChemistry,1993,vol.36,#25,p.4052-4060]

[6]Smolyar;Yutilov[RussianJournalofOrganicChemistry,2008,vol.44,#2,p.274-281]

[7]Mennen,StevenM.;Mak-Jurkauskas,MelodyL.;Bio,MatthewM.;Hollis,L.Steven;Nadeau,KellyA.;Clausen,AndrewM.;Hansen,KarlB.[OrganicProcessResearchandDevelopment,2015,vol.19,#7,p.884-891]

[8]Gabriel;Neumann[ChemischeBerichte,1893,vol.26,p.708]

[9]Locationinpatent:schemeortablePakulska,Wanda;Malinowski,Zbigniew;Szczesniak,AleksandraK.;Czarnecka,Elzbieta;Epsztajn,Jan[ArchivderPharmazie,2009,vol.342,#1,p.41-47]

[10]Kiliç,Burcu;Gülcan,HayrettinOzan;Yalçin,Mertcan;Aksakal,Fatma;Dimoglo,Anatoli;Şahin,MustafaFethi;Doǧruer,DenizSongül[Lettersindrugdesignanddiscovery,2017,vol.14,#2,p.159-166]

[11]CurrentPatentAssignee:GALAPAGOS-WO2019/7696,2019,A1Locationinpatent:Paragraph0221

[12]Elmeligie,Salwa;Aboul-Magd,AsmaaM.;Lasheen,DeenaS.;Ibrahim,TamerM.;Abdelghany,TamerM.;Khojah,SohairM.;Abouzid,KhaledA.M.[JournalofEnzymeInhibitionandMedicinalChemistry,2019,vol.34,#1,p.1347-1367]

[1]Huestis,MalcolmP.[JournalofOrganicChemistry,2016,vol.81,#24,p.12545-12552]

[2]Rowe;Peters[JournaloftheChemicalSociety,1933,p.1331,1334]

[1]Helbergeretal.[JustusLiebigsAnnalenderChemie,1938,vol.533,p.197,210]

[1]JustusLiebigsAnnalenderChemie,1937,vol.531,p.279,286

[1]Shatalov,G.V.;Gridchin,S.A.;Mikhant'ev,B.I.[ChemistryofHeterocyclicCompounds,1980,vol.16,#3,p.299-302][KhimiyaGeterotsiklicheskikhSoedinenii,1980,vol.16,#3,p.394-397]

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: Design and syntheses of novel phthalazin-1(2H)-one derivatives as acetohydroxyacid synthase inhibitors.

Journal: Journal of agricultural and food chemistry 20061129

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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