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97336-41-9,MFCD03453113
Catalog No.:AA00IJUS

97336-41-9 | 3,4-Diethyl-1H-pyrrole-2-carboxylic acid ethyl ester

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Purity
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Quantity
  
1g
97%
in stock  
$172.00   $121.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00IJUS
Chemical Name:
3,4-Diethyl-1H-pyrrole-2-carboxylic acid ethyl ester
CAS Number:
97336-41-9
Molecular Formula:
C11H17NO2
Molecular Weight:
195.2582
MDL Number:
MFCD03453113
SMILES:
CCOC(=O)c1[nH]cc(c1CC)CC
Properties
Properties
 
BP:
312℃  
Form:
Liquid  
Storage:
2-8℃;  

Computed Properties
 
Complexity:
194  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
5  
XLogP3:
2.9  

Downstream Synthesis Route
89-91-8    97336-41-9   
meso-methylcarboxy-<5,5'-bis(ethylcarboxy)-3,3',4,4'-tetraethyldipyrromethane> 

[1]SyntheticCommunications,1999,vol.29,p.1843-1855

[1]GarridoMontalban,Antonio;Herrera,AntonioJ.;Johannsen,Jes;White,AndrewJ.P.;Williams,DavidJ.[Tetrahedron,2014,vol.70,#40,p.7358-7362]

Literature
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SDS
Tags:97336-41-9 Molecular Formula|97336-41-9 MDL|97336-41-9 SMILES|97336-41-9 3,4-Diethyl-1H-pyrrole-2-carboxylic acid ethyl ester