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Home Other Building Blocks 649557-55-1
649557-55-1,MFCD03411527
Catalog No.:AA00ETNZ

649557-55-1 | Ethyl 4-(4-cyanophenyl)-2,4-dioxobutanoate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
50mg
95%
3 weeks  
$290.00   $203.00
- +
100mg
95%
3 weeks  
$375.00   $263.00
- +
250mg
95%
3 weeks  
$486.00   $340.00
- +
500mg
95%
3 weeks  
$702.00   $492.00
- +
1g
95%
3 weeks  
$867.00   $607.00
- +
2.5g
95%
3 weeks  
$1,399.00   $979.00
- +
5g
95%
3 weeks  
$2,286.00   $1,600.00
- +
10g
95%
3 weeks  
$4,059.00   $2,842.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00ETNZ
Chemical Name:
Ethyl 4-(4-cyanophenyl)-2,4-dioxobutanoate
CAS Number:
649557-55-1
Molecular Formula:
C13H11NO4
Molecular Weight:
245.2307
MDL Number:
MFCD03411527
SMILES:
CCOC(=O)C(=O)CC(=O)c1ccc(cc1)C#N
Properties
Computed Properties
 
Complexity:
385  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Rotatable Bond Count:
6  
XLogP3:
1.6  

Downstream Synthesis Route

[1]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2004/6922,2004,A1Locationinpatent:Page/Pagecolumn49

[2]Tsuji,Kiyoshi;Nakamura,Katsuya;Konishi,Nobukiyo;Tojo,Takashi;Ochi,Takehiro;Senoh,Hachiro;Matsuo,Masaaki[ChemicalandPharmaceuticalBulletin,1997,vol.45,#6,p.987-995]

[3]Locationinpatent:schemeortableHoveyda,HamidR.;Roy,Marie-Odile;Blanc,Sebastien;Noël,Sophie;Salvino,JosephM.;Ator,MarkA.;Fraser,Graeme[BioorganicandMedicinalChemistryLetters,2011,vol.21,#7,p.1991-1996]

[4]Waterson,AlexG.;Kennedy,J.Phillip;Patrone,JamesD.;Pelz,NicholasF.;Feldkamp,MichaelD.;Frank,AndreasO.;Vangamudi,Bhavatarini;Souza-Fagundes,ElaineM.;Rossanese,OliviaW.;Chazin,WalterJ.;Fesik,StephenW.[ACSMedicinalChemistryLetters,2015,vol.6,#2,p.140-145]

19763-90-7    649557-55-1   
ethyl5-(4-cyanophenyl)-1-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxylate 

[1]JournalofMedicinalChemistry,2013,vol.56,p.9242-9250

Literature
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SDS
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Tags:649557-55-1 Molecular Formula|649557-55-1 MDL|649557-55-1 SMILES|649557-55-1 Ethyl 4-(4-cyanophenyl)-2,4-dioxobutanoate