Home Nitro Compounds 5396-71-4
5396-71-4,MFCD00017027
Catalog No.:AA003Q5J

5396-71-4 | Ethyl 3-nitrocinnamate

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Purity
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Price(USD)
Quantity
  
1g
98%
in stock  
$12.00   $8.00
- +
5g
98%
in stock  
$18.00   $13.00
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10g
98%
in stock  
$35.00   $25.00
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25g
98%
in stock  
$73.00   $51.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003Q5J
Chemical Name:
Ethyl 3-nitrocinnamate
CAS Number:
5396-71-4
Molecular Formula:
C11H11NO4
Molecular Weight:
221.2093
MDL Number:
MFCD00017027
SMILES:
CCOC(=O)/C=C/c1cccc(c1)[N+](=O)[O-]
NSC Number:
4346
Properties
Properties
 
Form:
Solid  
MP:
74-76°C  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
282  
Covalently-Bonded Unit Count:
1  
Defined Bond Stereocenter Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Rotatable Bond Count:
4  
XLogP3:
2.2  

Downstream Synthesis Route

[1]CurrentPatentAssignee:EASTCHINAUNIVERSITYOFSCIENCEANDTECHNOLOGY;FIRSTAFFILIATEDHOSPITALOFSOOCHOWUNIVERSITY-CN103787992,2016,BLocationinpatent:Paragraph0089-0092

[2]Strawn;Martell;Simpson;Leach;Counsell[JournalofMedicinalChemistry,1989,vol.32,#9,p.2104-2110]

[3]Locationinpatent:schemeortableHao,Yan;Yang,Xichuan;Zhou,Meizhen;Cong,Jiayan;Wang,Xiuna;Hagfeldt,Anders;Sun,Licheng[ChemSusChem,2011,vol.4,#11,p.1601-1605]

[4]Schiff,R.[ChemischeBerichte,1878,vol.11,p.1782]

[5]Rai,Ganesha;Sayed,AhmedA.;Lea,WendyA.;Luecke,HansF.;Chakrapani,Harinath;Prast-Nielsen,Stefanie;Jadhav,Ajit;Leister,William;Shen,Min;Inglese,James;Austin,ChristopherP.;Keefer,Larry;Arnér,EliasS.J.;Simeonov,Anton;Maloney,DavidJ.;Williams,DavidL.;Thomas,CraigJ.[JournalofMedicinalChemistry,2009,vol.52,#20,p.6474-6483]

[1]Gattermann[ChemischeBerichte,1894,vol.27,p.1930]

[2]CurrentPatentAssignee:Bayer&Co.-DE82445,1800,C[Fortschr.Teerfarbenfabr.Verw.Industriezweige,4.60][Fortschr.Teerfarbenfabr.Verw.Industriezweige,4.60]

[1]Wollring[ChemischeBerichte,1914,vol.47,p.114]

[1]CurrentPatentAssignee:HoechsterFarbw.-DE101685,1800,C

[2]CurrentPatentAssignee:ARSENALCAPITALPARTNERSLP-US2010/130556,2010,A1Locationinpatent:Page/Pagecolumn19

[1]Friedlaender;Lazarus[JustusLiebigsAnnalenderChemie,1885,vol.229,p.233]

[2]Friedlaender;Lazarus[JustusLiebigsAnnalenderChemie,1885,vol.229,p.233]

[3]vanderLee[RecueildesTravauxChimiquesdesPays-Bas,1926,vol.45,p.694][RecueildesTravauxChimiquesdesPays-Bas,1929,vol.48,p.1137]

[4]vanderLee[RecueildesTravauxChimiquesdesPays-Bas,1926,vol.45,p.694][RecueildesTravauxChimiquesdesPays-Bas,1929,vol.48,p.1137]

Literature
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SDS
Tags:5396-71-4 Molecular Formula|5396-71-4 MDL|5396-71-4 SMILES|5396-71-4 Ethyl 3-nitrocinnamate