Home Nitro Compounds 612-41-9
612-41-9,MFCD00007189
Catalog No.:AA00IKEK

612-41-9 | 2-Propenoic acid, 3-(nitrophenyl)-

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Purity
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1g
97%
in stock  
$36.00   $25.00
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5g
97%
in stock  
$50.00   $35.00
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25g
98%
in stock  
$241.00   $169.00
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100g
98%
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$718.00   $503.00
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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:
AA00IKEK
Chemical Name:
2-Propenoic acid, 3-(nitrophenyl)-
CAS Number:
612-41-9
Molecular Formula:
C9H7NO4
Molecular Weight:
193.1562
MDL Number:
MFCD00007189
SMILES:
OC(=O)C=Cc1ccccc1N(=O)=O
Properties
Properties
 
BP:
383.3°C at 760 mmHg  
Form:
Solid  
MP:
243-245 °C(lit.)  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
256  
Covalently-Bonded Unit Count:
1  
Defined Bond Stereocenter Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
1.5  

Downstream Synthesis Route

[1]Fortschr.Teerfarbenfabr.Verw.Industriezweige,vol.1,p.125

[1]Sicker,D.;Rabe,A.;Zakrzewski,A.;Mann,G.[JournalfurpraktischeChemie(Leipzig1954),1987,vol.329,#6,p.1063-1070]

[2]CurrentPatentAssignee:PFIZERINC-US6255322,2001,B1

[3]Blout;Silverman[JournaloftheAmericanChemicalSociety,1944,vol.66,p.1442]

[4]Bordwell,FrederickG.;Fried,HerbertE.[JournalofOrganicChemistry,1991,vol.56,#13,p.4218-4223]

[5]Hueckel;Stepf[JustusLiebigsAnnalenderChemie,1927,vol.453,p.174]

[6]CurrentPatentAssignee:ROCHEHOLDINGAG-US4792561,1988,A

[1]Park,Byeongyeon;Nam,JiHye;Kim,JinHan;Kim,HyoungJa;Onnis,Valentina;Balboni,Gianfranco;Lee,Kyung-Tae;Park,JeongHo;Catto,Marco;Carotti,Angelo;Lee,JaeYeol[BioorganicandMedicinalChemistryLetters,2017,vol.27,#5,p.1179-1185]

[2]Lee,BumHoon;Lee,JaeYeol;Chung,BongYoung;Lee,YongSup[Heterocycles,2004,vol.63,#1,p.95-105]

[3]Park,SeongJun;Park,SungJun;Lee,MinJoo;Rhim,Hyewhon;Kim,Yoonjee;Lee,Jung-Ha;Chung,BongYoung;Lee,JaeYeol[BioorganicandMedicinalChemistry,2006,vol.14,#10,p.3502-3511]

[4]AhmedFouad,Manar;Ferretti,Francesco;Formenti,Dario;Milani,Fabio;Ragaini,Fabio[EuropeanJournalofOrganicChemistry,2021,vol.2021,#34,p.4876-4894]

[5]Zhang,Shuting;Cheng,Kui;Wang,Xiaohui;Yin,Hang[BioorganicandMedicinalChemistry,2012,vol.20,#20,p.6073-6079]

[6]Tian,Zhenlin;Zhu,Weiping;Xu,Yufang;Qian,Xuhong[OrganicandBiomolecularChemistry,2014,vol.12,#31,p.5818-5821]

[7]Qiang,LinGuo;Baine,NeilH.[JournalofOrganicChemistry,1988,vol.53,#18,p.4218-4222]

[8]CurrentPatentAssignee:AICURISGMBH&CO.KG-WO2004/99212,2004,A1Locationinpatent:Page/Pagecolumn23

[9]Seo,HanNa;Choi,JaYoun;Choe,YunJeong;Kim,Yoonjee;Rhim,Hyewhon;Lee,SoHa;Kim,Jungahn;Joo,DongJun;Lee,JaeYeol[BioorganicandMedicinalChemistryLetters,2007,vol.17,#21,p.5740-5743]

[10]CurrentPatentAssignee:GruenenthalPharmaGmbH&Co.Kommanditgesellschaft-US2008/249128,2008,A1Locationinpatent:Page/Pagecolumn43

[11]CurrentPatentAssignee:ONCOZEN-US2017/81291,2017,A1Locationinpatent:Paragraph0023;0055;0056;0057

[12]Bokosi,FostinoR.B.;Beteck,RichardM.;Laming,Dustin;Hoppe,HeinrichC.;Tshiwawa,Tendamudzimu;Khanye,SetshabaD.[ArchivderPharmazie,2021,vol.354,#7]

[1]Sicker,D.;Rabe,A.;Zakrzewski,A.;Mann,G.[JournalfurpraktischeChemie(Leipzig1954),1987,vol.329,#6,p.1063-1070]

[2]Lee,SeongJong;Seo,Hong-Ahn;Cheon,Cheol-Hong[AdvancedSynthesisandCatalysis,2016,vol.358,#10,p.1566-1570]

[3]Suárez-Escobedo,Laura;Gotor-Fernández,Vicente[Tetrahedron,2021,vol.81]

[1]Oelschlager;Ogorka;Kolbeck[ArchivderPharmazie,1986,vol.319,#6,p.488-492]

Literature

Title: Synthesis and structure--activity relationships of substituted cinnamic acids and amide analogues: a new class of herbicides.

Journal: Journal of agricultural and food chemistry 20090422

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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Tags:612-41-9 Molecular Formula|612-41-9 MDL|612-41-9 SMILES|612-41-9 2-Propenoic acid, 3-(nitrophenyl)- |Organic_Building_Blocks