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101341-45-1,MFCD03424782
Catalog No.:AA008V8J

101341-45-1 | Methyl 3-(4-cyanophenyl)-3-oxopropanoate

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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA008V8J
Chemical Name:
Methyl 3-(4-cyanophenyl)-3-oxopropanoate
CAS Number:
101341-45-1
Molecular Formula:
C11H9NO3
Molecular Weight:
203.1941
MDL Number:
MFCD03424782
SMILES:
COC(=O)CC(=O)c1ccc(cc1)C#N
Properties
Computed Properties
 
Complexity:
294  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Rotatable Bond Count:
4  
XLogP3:
1.3  

Downstream Synthesis Route
101341-45-1    762-42-5   
4'-cyano-biphenyl-2,3,4,5,6-pentacarboxylicacidpentamethylester 

[1]Nair,Vijay;Vidya;Biju;Deepthi,Ani;Abhilash;Suresh,Eringathodi[Tetrahedron,2006,vol.62,#43,p.10136-10140]

101341-45-1    7732-18-5    584-08-7    17201-43-3   
methyl3-(p-Cyanophenyl)-2-(p-cyanobenzoyl)propionate 

[1]CurrentPatentAssignee:PFIZERINC-US4546113,1985,A

[1]CurrentPatentAssignee:PFIZERINC-US4546113,1985,A

[2]Yang,Tonghao;Lin,Yajun;Yang,Chaoqun;Yu,Wei[GreenChemistry,2019,vol.21,#22,p.6097-6102]

[1]Rostovskii,NikolaiV.;Novikov,MikhailS.;Khlebnikov,AlexanderF.;Khlebnikov,VsevolodA.;Korneev,SergeiM.[Tetrahedron,2013,vol.69,#21,p.4292-4301]

[1]Rostovskii,NikolaiV.;Novikov,MikhailS.;Khlebnikov,AlexanderF.;Khlebnikov,VsevolodA.;Korneev,SergeiM.[Tetrahedron,2013,vol.69,#21,p.4292-4301]

[2]Kim,Jin-Ah;Seo,YeonJi;Kang,Soyeong;Han,Juae;Lee,Hyeon-Kyu[ChemicalCommunications,2014,vol.50,#89,p.13706-13709]

Literature
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