Home Nitro Compounds 2645-07-0
2645-07-0,MFCD00007349
Catalog No.:AA002T72

2645-07-0 | 4-Nitrohippuric acid

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1g
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$6.00   $4.00
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5g
98%
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$16.00   $11.00
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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:
AA002T72
Chemical Name:
4-Nitrohippuric acid
CAS Number:
2645-07-0
Molecular Formula:
C9H8N2O5
Molecular Weight:
224.1702
MDL Number:
MFCD00007349
SMILES:
OC(=O)CNC(=O)c1ccc(cc1)[N+](=O)[O-]
NSC Number:
33334
Properties
Properties
 
BP:
531.2°C at 760 mmHg  
Form:
Solid  
MP:
131-133℃(lit.)  
Storage:
2-8℃;  

Computed Properties
 
Complexity:
291  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
3  
XLogP3:
-0.4  

Downstream Synthesis Route

[1]Miyatake;Kaga[YakugakuZasshi/JournalofthePharmaceuticalSocietyofJapan,1952,vol.72,p.1160][Chem.Abstr.,1953,p.6905]

[2]Nogamietal.[YakugakuZasshi/JournalofthePharmaceuticalSocietyofJapan,1951,vol.71,p.1494][Chem.Abstr.,1952,p.7075]Shimizu;Okano[YakugakuZasshi/JournalofthePharmaceuticalSocietyofJapan,1953,vol.73,p.523][Chem.Abstr.,1954,p.3301]

[3]Siegel;Pressman[JournaloftheAmericanChemicalSociety,1953,vol.75,p.3436]

[4]Manta;Leibovici[1958,p.50,52][Chem.Abstr.,1959,p.19960]

[5]Muenzen;Cerecedo;Sherwin[JournalofBiologicalChemistry,1926,vol.67,p.473]

[6]Landsteiner;vanderScheer[JournalofExperimentalMedicine,1932,vol.55,p.781,785]

[7]DeRuiter,Jack;Davis,R.Alan;Wandrekar,VinayG.;Mayfield,CharlesA.[JournalofMedicinalChemistry,1991,vol.34,#7,p.2120-2126]

[8]CurrentPatentAssignee:ZHEJIANGLIHEGROUP-CN106833006,2017,ALocationinpatent:Paragraph0044;0047;0048;0049;0056-0058;0066;0067

[1]CurrentPatentAssignee:F2GLTD;F2GBRITISHBODYCORPORATE-WO2008/62182,2008,A1Locationinpatent:Page/Pagecolumn153

[2]Miyatake;Kaga[YakugakuZasshi/JournalofthePharmaceuticalSocietyofJapan,1952,vol.72,p.627][Chem.Abstr.,1953,p.2734]

[3]Locationinpatent:experimentalpartChavez,Flavio;Kennedy,Nicole;Rawalpally,Thimma;Williamson,R.Thomas;Cleary,Thomas[OrganicProcessResearchandDevelopment,2010,vol.14,#3,p.579-584]

[1]Jursic;Neumann[SyntheticCommunications,2001,vol.31,#4,p.555-564]

[2]CurrentPatentAssignee:CHINAPHARMACEUTICALUNIVERSITY-CN105884699,2016,ALocationinpatent:Paragraph0038;0039

[3]Rodrigues,CatarinaA.B.;Mariz,InêsF.A.;Maçôas,ErmelindaM.S.;Afonso,CarlosA.M.;Martinho,JoséM.G.[DyesandPigments,2013,vol.99,#3,p.642-652]

[4]Tandel;Mammen,Denni[IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,2008,vol.47,#6,p.932-937]

[5]Loeb[ChemischeBerichte,1894,vol.27,p.3094]

[6]Muenzen;Cerecedo;Sherwin[JournalofBiologicalChemistry,1926,vol.67,p.473]

[7]DeRuiter,Jack;Davis,R.Alan;Wandrekar,VinayG.;Mayfield,CharlesA.[JournalofMedicinalChemistry,1991,vol.34,#7,p.2120-2126]

[8]Curran,TerenceC;Farrar,CharlesR.;Niazy,Omima;Williams,Andrew[JournaloftheAmericanChemicalSociety,1980,vol.102,#22,p.6828-6837]

[9]DeRuiter,Jack;Swearingen,BlakeE.;Wandrekar,Vinay;Mayfield,CharlesA.[JournalofMedicinalChemistry,1989,vol.32,#5,p.1033-1038]

[10]Benvenuti,Stefania;Severi,Fabio;Costantino,Luca;Vampa,Gabriella;Melegari,Michele[IlFarmaco,1998,vol.53,#6,p.439-442]

[11]Huang,Wenhua;Zhang,Li'e[JournalofChemicalResearch,2006,#11,p.738-739]

[12]Locationinpatent:experimentalpartJin,Can;Chen,Jun;Su,Weike[Heterocycles,2011,vol.83,#1,p.153-161]

[13]Locationinpatent:schemeortableWang,Peiyuan;Naduthambi,Devan;Mosley,RalphT.;Niu,Congrong;Furman,PhillipA.;Otto,MichaelJ.;Sofia,MichaelJ.[BioorganicandMedicinalChemistryLetters,2011,vol.21,#15,p.4642-4647]

[14]Locationinpatent:experimentalpartPareek,AlokK.;Joseph;Seth,DayaS.[OrientalJournalofChemistry,2010,vol.26,#4,p.1533-1536]

[15]Zhang,Hai-Qi;Gong,Fei-Hu;Ye,Ji-Qing;Zhang,Chi;Yue,Xiao-Hong;Li,Chuan-Gui;Xu,Yun-Gen;Sun,Li-Ping[EuropeanJournalofMedicinalChemistry,2017,vol.125,p.245-254]

[16]Min,Ma;Xingjun,Jiang;Xueding,Wang;Hao,Zou;Weiqing,Yang;Yuanyuan,Zhang;Changrong,Peng;Zicheng,Li;Jing,Yang;Quan,Du;Menglin,Ma[ChemicalBiologyandDrugDesign,2016,p.451-459]

[17]CurrentPatentAssignee:ZHEJIANGLIHEGROUP-CN106833006,2017,ALocationinpatent:Paragraph0044;0046;0048;0049;0055;0057;0058

[18]OzturkUrut,Gulsiye;Alp,Serap;Topkaya,Derya[DyesandPigments,2017,vol.145,p.103-109]Urut,GulsiyeOzturk;Aydin,Seher;Topkaya,Derya;Sahin,Elif;Alp,Serap[JournalofFluorescence,2018,vol.28,#3,p.735-741]

[19]CurrentPatentAssignee:EMORYUNIVERSITY-WO2020/72955,2020,A1Locationinpatent:Page/Pagecolumn143;163;164

2645-07-0    78-39-7   
4-(1-ethoxy-ethylidene)-2-(4-nitro-phenyl)-4<i>H</i>-oxazol-5-one 

[1]Tripathy;Rout[JournaloftheIndianChemicalSociety,1959,vol.36,p.625,631]

2645-07-0    75-36-5   
<i>N</i>-(4-nitro-benzoyl)-glycylchloride 

[1]CurrentPatentAssignee:WARDBLENKINSOP-US2548257,1949,A

Literature

Title: Substituted hippurates and hippurate analogs as substrates and inhibitors of peptidylglycine alpha-hydroxylating monooxygenase (PHM).

Journal: Bioorganic & medicinal chemistry 20081201

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Tags:2645-07-0 Molecular Formula|2645-07-0 MDL|2645-07-0 SMILES|2645-07-0 4-Nitrohippuric acid