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5004-45-5,MFCD00098272
Catalog No.:AA003LW8

5004-45-5 | 4-Phenyl-1(2h)-phthalazinone

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$54.00   $38.00
- +
5g
98%
in stock  
$125.00   $88.00
- +
10g
95%
in stock  
$198.00   $139.00
- +
25g
98%
in stock  
$394.00   $276.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003LW8
Chemical Name:
4-Phenyl-1(2h)-phthalazinone
CAS Number:
5004-45-5
Molecular Formula:
C14H10N2O
Molecular Weight:
222.2420
MDL Number:
MFCD00098272
SMILES:
O=c1[nH]nc(c2c1cccc2)c1ccccc1
NSC Number:
59
Properties
Properties
 
Form:
Solid  
MP:
240-244℃(lit.)  

Computed Properties
 
Complexity:
331  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
2.7  

Downstream Synthesis Route

[1]JournalofMedicinalChemistry,1982,vol.25,p.975-982

[2]TetrahedronLetters,2013,vol.54,p.1384-1388

[3]OrganicProcessResearchandDevelopment,2015,vol.19,p.884-891

[4]JournalofMedicinalChemistry,1993,vol.36,p.4052-4060

[5]JournalofChemicalResearch,2010,p.102-105

[6]Patent:CN103421047,2016,B.Locationinpatent:Paragraph0052-0055;0059

[7]JournalofHeterocyclicChemistry,2016,vol.53,p.789-799

[8]EuropeanJournalofMedicinalChemistry,2016,vol.107,p.165-179

[9]JournalofMedicinalChemistry,2000,vol.43,p.2155-2164

[10]EuropeanJournalofMedicinalChemistry,2014,vol.85,p.480-486

[11]JournalfurpraktischeChemie(Leipzig1954),1895,vol.<2>51,p.148

[12]IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,1980,vol.19,p.914-916

[13]ArchivderPharmazie,2003,vol.336,p.591-597

[14]ArchivderPharmazie,2009,vol.342,p.41-47

[15]Lettersindrugdesignanddiscovery,2017,vol.14,p.159-166

[16]JournalofEnzymeInhibitionandMedicinalChemistry,2017,vol.32,p.600-613

[1]Locationinpatent:experimentalpartHemdan,MagdyM.;Taha,SherifM.;Gabr,AdelM.;Elkady,MohamedY.[JournalofChemicalResearch,2010,#2,p.102-105]

[2]Fathalla,Walid;Ali,IbrahimA.I.;Pazdera,Pavel[BeilsteinJournalofOrganicChemistry,2017,vol.13,p.174-181]

[3]CurrentPatentAssignee:COMPAGNIEGENERALEDESETABLISSEMENTSMICHELIN(MICHELIN)-US2382769,1942,A

[1]Richter;Kasbohm;Besch;Hagen[Pharmazie,1992,vol.47,#10,p.758-764]

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

111-24-0    5004-45-5   
2-(5-Bromo-pentyl)-4-phenyl-2H-phthalazin-1-one 

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

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: 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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