Name: Name:Ethyl 3-nitrocinnamate
Brand: AABLOCKS
SKU: AA003Q5J
Rating: 90 (10 reviews)

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

Form: Solid

MP: 74-76°C

Storage: Keep in dry area;2-8℃;

Complexity: 282

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 1

Formal Charge: 0

Heavy Atom Count: 16

Hydrogen Bond Acceptor Count: 4

Hydrogen Bond Donor Count: 0

Isotope Atom Count: 0

Rotatable Bond Count: 4

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 2.2

Downstream Synthesis Route

64-17-5

555-68-0

5396-71-4

[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]

5396-71-4

14415-44-2

[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]

5396-71-4

35283-01-3

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

5396-71-4

6328-01-4

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

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

5396-71-4

21646-75-3

[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]