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50636-57-2,MFCD00203488
Catalog No.:AA00DDUB

50636-57-2 | 6-(4-Bromophenyl)pyridazin-3(2H)-one

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  • Technical Information
  • Properties
  • Downstream Synthesis Route
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Technical Information
Catalog Number:
AA00DDUB
Chemical Name:
6-(4-Bromophenyl)pyridazin-3(2H)-one
CAS Number:
50636-57-2
Molecular Formula:
C10H7BrN2O
Molecular Weight:
251.0794
MDL Number:
MFCD00203488
SMILES:
Brc1ccc(cc1)c1ccc(=O)[nH]n1
Properties
Computed Properties
 
Complexity:
291  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
2  

Downstream Synthesis Route

[1]Locationinpatent:experimentalpartMantu,Dorina;CǎtǎlinaLuca,Mihaela;Moldoveanu,Costel;Zbancioc,Gheorghita;Mangalagiu,IonelI.[EuropeanJournalofMedicinalChemistry,2010,vol.45,#11,p.5164-5168]

[2]McMillanetal.[JournaloftheAmericanChemicalSociety,1956,vol.78,p.407,408]

[3]Özçelik,AzimeBerna;Özdemir,Zeynep;Sari,Suat;Utku,Semra;Uysal,Mehtap[PharmacologicalReports,2019,vol.71,#6,p.1253-1263]

[1]CurrentPatentAssignee:ABBVIEINC-US2005/101602,2005,A1Locationinpatent:Page/Pagecolumn42

[2]CurrentPatentAssignee:ABBVIEINC-US2005/159597,2005,A1Locationinpatent:Page/Pagecolumn29

[3]CurrentPatentAssignee:ABBVIEINC-WO2006/65233,2006,A1Locationinpatent:Page/Pagecolumn75-76

[4]Liang,Lei;Yang,Guanyu;Xu,Fengrong;Niu,Yan;Sun,Qi;Xu,Ping[EuropeanJournalofOrganicChemistry,2013,#27,p.6130-6136]

[5]Csende;Szabo;Bernath;Stajer[Synthesis,1995,#10,p.1240-1242]

[6]CurrentPatentAssignee:PFIZERINC-US4092311,1978,A

[7]Özçelik,AzimeBerna;Özdemir,Zeynep;Sari,Suat;Utku,Semra;Uysal,Mehtap[PharmacologicalReports,2019,vol.71,#6,p.1253-1263]

4-(4-bromo-phenyl)-2-imidazol-1-yl-4-oxo-butyricacid 
  50636-57-2 

[1]Khachatryan;Khachikyan;Karamyan;Panosyan;Indzhikyan[ChemistryofHeterocyclicCompounds,2004,vol.40,#4,p.446-451]

[1]McMillanetal.[JournaloftheAmericanChemicalSociety,1956,vol.78,p.407,408]

[2]Özçelik,AzimeBerna;Özdemir,Zeynep;Sari,Suat;Utku,Semra;Uysal,Mehtap[PharmacologicalReports,2019,vol.71,#6,p.1253-1263]

Literature
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SDS
Tags:50636-57-2 Molecular Formula|50636-57-2 MDL|50636-57-2 SMILES|50636-57-2 6-(4-Bromophenyl)pyridazin-3(2H)-one