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30764-23-9,MFCD00435460
Catalog No.:AA003150

30764-23-9 | Ethyl 4-(acetoacetylamino)benzoate

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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003150
Chemical Name:
Ethyl 4-(acetoacetylamino)benzoate
CAS Number:
30764-23-9
Molecular Formula:
C13H15NO4
Molecular Weight:
249.2625
MDL Number:
MFCD00435460
SMILES:
CCOC(=O)c1ccc(cc1)NC(=O)CC(=O)C
NSC Number:
142630
Properties
Properties
 
BP:
450.8°C at 760 mmHg  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
319  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
6  
XLogP3:
1.7  

Downstream Synthesis Route

[1]Kabi,ArupK.;Gujjarappa,Raghuram;Vodnala,Nagaraju;Kaldhi,Dhananjaya;Tyagi,Ujjawal;Mukherjee,Kalisadhan;Malakar,ChandiC.[TetrahedronLetters,2020,vol.61,#46]

[2]Locationinpatent:experimentalpartO'Halloran,Neil;James,JohnP.;Downey,CarolA.;O'Malley,Patrick;Duff,Thomas;Bertrand,Samuel[Heterocycles,2008,vol.75,#11,p.2681-2701]

[3]CurrentPatentAssignee:Bayer&Co.-DE273321,1800,C[Fortschr.Teerfarbenfabr.Verw.Industriezweige,vol.12,p.172][Fortschr.Teerfarbenfabr.Verw.Industriezweige,vol.12,p.172]

[4]Dave;Patel;Langalia;etal.[JournaloftheIndianChemicalSociety,1985,vol.62,#5,p.386-387]

[5]Cao,Xiyang;Wang,Gang;Zhang,Guisheng;Zhang,Xingjie;Zhang,Zhiguo[GreenChemistry,2022,vol.24,#7,p.3035-3041]

30764-23-9    26226-72-2   
C24H26N2O7 

[1]JournaloftheIndianChemicalSociety,1985,vol.62,p.386-387

Literature
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