Home Amines 908584-68-9
908584-68-9,MFCD09835737
Catalog No.:AA003Q9B

908584-68-9 | Ethyl 5-amino-1-(4-chlorophenyl)-4-cyanopyrazole-3-carboxylate

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Purity
Availability
Price(USD)
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1g
98%
in stock  
$112.00   $78.00
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5g
98%
in stock  
$411.00   $288.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003Q9B
Chemical Name:
Ethyl 5-amino-1-(4-chlorophenyl)-4-cyanopyrazole-3-carboxylate
CAS Number:
908584-68-9
Molecular Formula:
C13H11ClN4O2
Molecular Weight:
290.7050
MDL Number:
MFCD09835737
SMILES:
CCOC(=O)c1nn(c(c1C#N)N)c1ccc(cc1)Cl
Properties
Properties
 
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
402  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
4  
XLogP3:
3  

Downstream Synthesis Route

[1]Ge,Min;Cline,Eric;Yang,Lihu[TetrahedronLetters,2006,vol.47,#32,p.5797-5799]

Sodium;2,2-dicyano-1-ethoxycarbonyl-ethenolate 
  908584-68-9 

[1]Ge,Min;Cline,Eric;Yang,Lihu[TetrahedronLetters,2006,vol.47,#32,p.5797-5799]

[1]Silvestri,Romano;Cascio,MariaGrazia;LaRegina,Giuseppe;Piscitelli,Francesco;Lavecchia,Antonio;Brizzi,Antonella;Pasquini,Serena;Botta,Maurizio;Novellino,Ettore;DiMarzo,Vincenzo;Corelli,Federico[JournalofMedicinalChemistry,2008,vol.51,#6,p.1560-1576]

[1]Silvestri,Romano;Cascio,MariaGrazia;LaRegina,Giuseppe;Piscitelli,Francesco;Lavecchia,Antonio;Brizzi,Antonella;Pasquini,Serena;Botta,Maurizio;Novellino,Ettore;DiMarzo,Vincenzo;Corelli,Federico[JournalofMedicinalChemistry,2008,vol.51,#6,p.1560-1576]

Literature
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SDS
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Tags:908584-68-9 Molecular Formula|908584-68-9 MDL|908584-68-9 SMILES|908584-68-9 Ethyl 5-amino-1-(4-chlorophenyl)-4-cyanopyrazole-3-carboxylate