Home Nitro Compounds 619-14-7
619-14-7,MFCD00007110
Catalog No.:AA003JH6

619-14-7 | 3-Hydroxy-4-nitrobenzoic acid

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5g
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10g
98%
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25g
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500g
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  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
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  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003JH6
Chemical Name:
3-Hydroxy-4-nitrobenzoic acid
CAS Number:
619-14-7
Molecular Formula:
C7H5NO5
Molecular Weight:
183.1183
MDL Number:
MFCD00007110
SMILES:
OC(=O)c1ccc(c(c1)O)N(=O)=O
NSC Number:
46823
Properties
Properties
 
BP:
381°C at 760 mmHg  
Form:
Solid  
MP:
229-231 °C(lit.)  
Refractive Index:
1.6280 (estimate)  
Solubility:
1.08g/l (calculated)  
Storage:
Inert atmosphere;Room Temperature;  

Computed Properties
 
Complexity:
223  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
1  
XLogP3:
2  

Upstream Synthesis Route

[1]JustusLiebigsAnnalenderChemie,1900,vol.311,p.55

[2]Patent:DE97335,,,

[3]JournalofOrganicChemistry,1989,vol.54,#15,p.3740-3744

[4]JournalofPharmaceuticalSciences,1987,vol.76,#4,p.303-305

[5]Patent:DE97335,,,

[1]Tetrahedron,1990,vol.46,#15,p.5177-5186

[2]JustusLiebigsAnnalenderChemie,1900,vol.311,p.55

[3]Patent:DE97335,,,

[4]JustusLiebigsAnnalenderChemie,1900,vol.311,p.55

[5]Patent:DE97335,,,

[1]JournaloftheChineseChemicalSociety,2005,vol.52,#3,p.581-588

[1]JournaloftheChemicalSociety,1921,vol.119,p.1431

[1]JournaloftheChemicalSociety,1921,vol.119,p.1425

Downstream Synthesis Route

[1]Locationinpatent:bodytextBörger,Carsten;Knölker,Hans-Joachim[Synlett,2008,#11,p.1698-1702]

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[7]CurrentPatentAssignee:VallineSRL-US2014/155391,2014,A1Locationinpatent:Paragraph0536;0537

[8]CurrentPatentAssignee:SCRIPPSRESEARCH-WO2014/131023,2014,A1Locationinpatent:Page/Pagecolumn44-45

[9]Schütze,Doreen;Holz,Katharina;Müller,Julian;Beyer,MartinK.;Lüning,Ulrich;Hartke,Bernd[AngewandteChemie-InternationalEdition,2015,vol.54,#8,p.2556-2559][Angew.Chem.,2015,vol.127,#8,p.2587-2590,4]

[10]CurrentPatentAssignee:SCRIPPSRESEARCH-WO2016/22700,2016,A2Locationinpatent:Page/Pagecolumn45

[11]CurrentPatentAssignee:HUNANOUYABIOLOG-CN103664845,2016,BLocationinpatent:Paragraph0049-0054

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[14]CurrentPatentAssignee:HANSOHPHARMACEUTICALGROUPCOLTD-EP2481739,2012,A1Locationinpatent:Page/Pagecolumn19

[15]CurrentPatentAssignee:HANSOHPHARMACEUTICALGROUPCOLTD-US2012/184543,2012,A1Locationinpatent:Page/Pagecolumn23

[16]CurrentPatentAssignee:MEDIVIRAB-WO2008/107365,2008,A1Locationinpatent:Page/Pagecolumn84-85

[17]Karekar,VaibhavV.;Bhoge,BapuraoA.;Saraogi,Ishu[NewJournalofChemistry,2019,vol.43,#2,p.556-560]

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[22]Soto,VictorH.;Vázquez-Tato,M.Pilar;Meijide,Francisco;Alvarado,MaríaJosé;Seijas,JulioA.;DeFrutos,Santiago;Lomonte,Bruno;VázquezTato,José[NewJournalofChemistry,2018,vol.42,#24,p.19407-19414]

[23]Watts,Ellen;Heidenreich,David;Tucker,Elizabeth;Raab,Monika;Strebhardt,Klaus;Chesler,Louis;Knapp,Stefan;Bellenie,Benjamin;Hoelder,Swen[JournalofMedicinalChemistry,2019,vol.62,#5,p.2618-2637]

[24]Samih,Fouzia;Prudhomme,Michelle;Dauphin,Gerard;Jeminet,Georges[Tetrahedron,1990,vol.46,#15,p.5177-5186]

[25]Einhorn;Pfyl[JustusLiebigsAnnalenderChemie,1900,vol.311,p.55]

[26]Rakotondradany,Felaniaina;Whitehead;Lebuis,Anne-Marie;Sleiman,HanadiF.[Chemistry-AEuropeanJournal,2003,vol.9,#19,p.4771-4780]

[27]Plante,Jeffrey;Campbell,Fred;Malkova,Barbora;Kilner,Colin;Warriner,StuartL.;Wilson,AndrewJ.[OrganicandBiomolecularChemistry,2008,vol.6,#1,p.138-146]

[28]Rando,DanielaG.;Avery,MitchellA.;Tekwani,BabuL.;Khan,ShabanaI.;Ferreira,ElizabethI.[BioorganicandMedicinalChemistry,2008,vol.16,#14,p.6724-6731]

[29]CurrentPatentAssignee:VallineSRL-US2010/204256,2010,A1Locationinpatent:Page/Pagecolumn13;14

[30]Prabhakaran,Panchami;Azzarito,Valeria;Jacobs,Tia;Hardie,MichaeleJ.;Kilner,ColinA.;Edwards,ThomasA.;Warriner,StuartL.;Wilson,AndrewJ.[Tetrahedron,2012,vol.68,#23,p.4485-4491]

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[35]CurrentPatentAssignee:Einhorn;Pfyl-DE97335,1800,C

[36]Tiz,DavideBenedetto;Skok,Žiga;Durcik,Martina;Tomašič,Tihomir;Mašič,LucijaPeterlin;Ilaš,Janez;Zega,Anamarija;Draskovits,Gábor;Révész,Tamás;Nyerges,Ákos;Pál,Csaba;Cruz,CristinaD.;Tammela,Päivi;Žigon,Dušan;Kikelj,Danijel;Zidar,Nace[EuropeanJournalofMedicinalChemistry,2019,vol.167,p.269-290]

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[5]Thieme[JournalfurpraktischeChemie(Leipzig1954),1891,vol.<2>43,p.464]

[6]CurrentPatentAssignee:TAKEDAPHARMACEUTICALCOMPANYLIMITED-WO2014/142363,2014,A1Locationinpatent:Paragraph0671

[7]CurrentPatentAssignee:WELLSTATGROUPOFCOMPANIES-US2017/42844,2017,A1Locationinpatent:Paragraph0270;0271

[8]CurrentPatentAssignee:ROCHEHOLDINGAG-WO2019/72785,2019,A1Locationinpatent:Page/Pagecolumn207

[1]JournaloftheChemicalSociety,1924,vol.125,p.1057

[2]Patent:CN105669462,2016,A.Locationinpatent:Paragraph0029;0030

[1]Einhorn;Pfyl[JustusLiebigsAnnalenderChemie,1900,vol.311,p.55]

[2]Stutts,K.J.;Scortichini,C.L.;Repucci,C.M.[JournalofOrganicChemistry,1989,vol.54,#15,p.3740-3744]

[3]Kasuya;Igarashi;Fukui[JournalofPharmaceuticalSciences,1987,vol.76,#4,p.303-305]

[4]CurrentPatentAssignee:Einhorn;Pfyl-DE97335,1800,C

[5]CurrentPatentAssignee:SHANGHAISIMCEREPHARMACEUTICALRES;SIMCEREPHARMACEUTICALGROUP-CN104045552,2019,BLocationinpatent:Paragraph0114;0115;0118;0119

[1]ChemischeBerichte,1872,vol.5,p.857    ChemischeBerichte,1887,vol.20,p.406

Literature

Title: Inhibitory Effects of Conjugated Epicatechin Metabolites on Peroxynitrite-mediated Nitrotyrosine Formation.

Journal: Journal of clinical biochemistry and nutrition 20080101

Title: Selective detection of 2-nitrobenzenesulfenyl-labeled peptides by matrix-assisted laser desorption/ionization-time of flight mass spectrometry using a novel matrix.

Journal: Proteomics 20060401

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Tags:619-14-7 Molecular Formula|619-14-7 MDL|619-14-7 SMILES|619-14-7 3-Hydroxy-4-nitrobenzoic acid |Organic_Building_Blocks