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42550-72-1,MFCD01314310
Catalog No.:AA0071S9

42550-72-1 | Methyl 2-benzyl-2-cyano-3-phenylpropanoate

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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA0071S9
Chemical Name:
Methyl 2-benzyl-2-cyano-3-phenylpropanoate
CAS Number:
42550-72-1
Molecular Formula:
C18H17NO2
Molecular Weight:
279.3331
MDL Number:
MFCD01314310
SMILES:
COC(=O)C(Cc1ccccc1)(Cc1ccccc1)C#N
Properties
Computed Properties
 
Complexity:
363  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
3  
Rotatable Bond Count:
6  
XLogP3:
3.8  

Downstream Synthesis Route

[1]McElvain;Schroeder[JournaloftheAmericanChemicalSociety,1949,vol.71,p.47,52]

[2]McElvain;Schroeder[JournaloftheAmericanChemicalSociety,1949,vol.71,p.47,52]

[3]Hessler[JournaloftheAmericanChemicalSociety,1916,vol.38,p.911]

[1]McElvain;Schroeder[JournaloftheAmericanChemicalSociety,1949,vol.71,p.47,52]

[1]McElvain;Schroeder[JournaloftheAmericanChemicalSociety,1949,vol.71,p.47,52]

[1]Hessler[JournaloftheAmericanChemicalSociety,1916,vol.38,p.911]

[1]Locationinpatent:experimentalpartHansen,Terkel;Alst,Tore;Havelkova,Martina;Strøm,MortenB.[JournalofMedicinalChemistry,2010,vol.53,#2,p.595-606]

[2]Oediger,H.;Moeller,F.[JustusLiebigsAnnalenderChemie,1976,p.348-351]

[3]CurrentPatentAssignee:LYTIXBIOPHARMAAS-US2013/35296,2013,A1Locationinpatent:Paragraph0101

Literature

Title: Hydrogen-bonded chains in racemic 2-benzyl-3-(2-bromophenyl)propiononitrile and hydrogen-bonded sheets in methyl 2-benzyl-2-cyano-3-phenylpropionate.

Journal: Acta crystallographica. Section C, Crystal structure communications 20060901

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SDS
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