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Home Carboxes 4553-07-5
4553-07-5,MFCD00001866
Catalog No.:AA003QDT

4553-07-5 | Ethyl phenylcyanoacetate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$24.00   $17.00
- +
5g
95%
in stock  
$43.00   $30.00
- +
25g
97%
in stock  
$153.00   $107.00
- +
100g
97%
in stock  
$560.00   $392.00
- +
  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003QDT
Chemical Name:
Ethyl phenylcyanoacetate
CAS Number:
4553-07-5
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
MDL Number:
MFCD00001866
SMILES:
CCOC(=O)C(c1ccccc1)C#N
NSC Number:
362
Properties
Properties
 
BP:
275-275 °C  
Form:
Liquid  
Refractive Index:
1.5033-1.5053  
Storage:
Room Temperature;Inert atmosphere;  

Computed Properties
 
Complexity:
235  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
1  
XLogP3:
2.1  

Literature

Title: Enantioselective amination of alpha-phenyl-alpha-cyanoacetate catalyzed by chiral amines incorporating the alpha-phenylethyl auxiliary.

Journal: The Journal of organic chemistry 20070216

Title: Palladium-catalyzed arylation of malonates and cyanoesters using sterically hindered trialkyl- and ferrocenyldialkylphosphine ligands.

Journal: The Journal of organic chemistry 20020125

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SDS
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Tags:4553-07-5 Molecular Formula|4553-07-5 MDL|4553-07-5 SMILES|4553-07-5 Ethyl phenylcyanoacetate