Home Nitro Compounds 54998-00-4
54998-00-4,MFCD00511844
Catalog No.:AA00D8QZ

54998-00-4 | 5-Morpholino-2-nitroaniline

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
97%
in stock  
$47.00   $33.00
- +
500mg
95
in stock  
$86.00   $60.00
- +
1g
97%
in stock  
$127.00   $89.00
- +
5g
97%
in stock  
$381.00   $267.00
- +
10g
95%
in stock  
$710.00   $497.00
- +
25g
95%
in stock  
$1,407.00   $985.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00D8QZ
Chemical Name:
5-Morpholino-2-nitroaniline
CAS Number:
54998-00-4
Molecular Formula:
C10H13N3O3
Molecular Weight:
223.2285
MDL Number:
MFCD00511844
SMILES:
[O-][N+](=O)c1ccc(cc1N)N1CCOCC1
Properties
Properties
 
Form:
Solid  
MP:
182-185 °C  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
250  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
1  

Downstream Synthesis Route

[1]Maji,Basudeb;Kumar,Krishan;Kaulage,Mangesh;Muniyappa;Bhattacharya,Santanu[JournalofMedicinalChemistry,2014,vol.57,#16,p.6973-6988]

[2]Kaulage,MangeshH.;Maji,Basudeb;Pasadi,Sanjeev;Ali,Asfa;Bhattacharya,Santanu;Muniyappa[EuropeanJournalofMedicinalChemistry,2018,vol.148,p.178-194]

[3]CurrentPatentAssignee:CHINAPHARMACEUTICALUNIVERSITY-CN112047932,2020,ALocationinpatent:Paragraph0256-0259

[4]Kuznetsov,V.A.;Garabadzhiu,A.V.;Ginzburg,O.F.[JournalofOrganicChemistryUSSR(EnglishTranslation),1986,vol.22,p.403-404][ZhurnalOrganicheskoiKhimii,1986,vol.22,#2,p.455-456]

[5]Chen,Ting;Sorna,Venkataswamy;Choi,Susie;Call,Lee;Bearss,Jared;Carpenter,Kent;Warner,StevenL.;Sharma,Sunil;Bearss,DavidJ.;Vankayalapati,Hariprasad[BioorganicandMedicinalChemistryLetters,2017,vol.27,#24,p.5473-5480]

[6]Kamal,Ahmed;Pogula,PraveenKumar;Khan,MohammedNaseerAhmed;Seshadri,BobburiNaga;Sreekanth,Kokkonda[MedicinalChemistry,2013,vol.9,#5,p.651-659]

[7]Kamal,Ahmed;Kumar,PogulaPraveen;Khan,MohammedNaseerAhmed;Sheshadri,BobburiNaga;Srinivas,Olepu[Lettersindrugdesignanddiscovery,2015,vol.12,#5,p.374-384]

[8]CurrentPatentAssignee:COUNCILOFSCIENTIFICANDINDUSTRIALRESEARCH(IN)-WO2009/110000,2009,A1Locationinpatent:Page/Pagecolumn12

[9]CurrentPatentAssignee:PETERMACCALLUMCANCERCENTER-WO2011/123890,2011,A1Locationinpatent:Page/Pagecolumn74

[10]Charton,Julie;Girault-Mizzi,Sophie;Debreu-Fontaine,Marie-Ange;Foufelle,Fabienne;Hainault,Isabelle;Bizot-Espiard,Jean-Guy;Caignard,Daniel-Henri;Sergheraert,Christian[BioorganicandMedicinalChemistry,2006,vol.14,#13,p.4490-4518]

[11]CurrentPatentAssignee:DAIICHISANKYOCOMPANY,LIMITED-US2002/165218,2002,A1

[12]Knight,ZacharyA.;Chiang,GaryG.;Alaimo,PeterJ.;Kenski,DeniseM.;Ho,CarolineB.;Coan,Kristin;Abraham,RobertT.;Shokat,KevanM.[BioorganicandMedicinalChemistry,2004,vol.12,#17,p.4749-4759]

[13]Loewe;Urbanietz[Arzneimittel-Forschung/DrugResearch,1974,vol.24,#12,p.1927-1933]

[14]CurrentPatentAssignee:Novartis(w/oSandoz);NOVARTISAG-WO2004/18419,2004,A2Locationinpatent:Page264-265

[15]Ramachandran,Sreekanth;HameedP.,Shahul;Srivastava,Abhishek;Shanbhag,Gajanan;Morayya,Sapna;Rautela,Nikhil;Awasthy,Disha;Kavanagh,Stefan;Bharath,Sowmya;Reddy,Jitendar;Panduga,Vijender;Prabhakar;Saralaya,Ramanatha;Nanduri,Robert;Raichurkar,Anandkumar;Menasinakai,Sreenivasaiah;Achar,Vijayashree;Jiménez-Díaz,MaríaBelén;Martínez,MaríaSantos;Angulo-Barturen,Iñigo;Ferrer,Santiago;Sanz,LauraMaría;Gamo,FranciscoJavier;Duffy,Sandra;Avery,VickyM.;Waterson,David;Lee,MarcusC.S.;Coburn-Flynn,Olivia;Fidock,DavidA.;Iyer,PravinS.;Narayanan,Shridhar;Hosagrahara,Vinayak;Sambandamurthy,VasanK.[JournalofMedicinalChemistry,2014,vol.57,#15,p.6642-6652]

[1]JournalofMedicinalChemistry,2007,vol.50,p.4162-4176

[1]Locationinpatent:experimentalpartRenhowe,PaulA.;Pecchi,Sabina;Shafer,CynthiaM.;Machajewski,TimothyD.;Jazan,ElisaM.;Taylor,Clarke;Antonios-McCrea,William;McBride,ChristopherM.;Frazier,Kelly;Wiesmann,Marion;Lapointe,GenaR.;Feucht,PaulH.;Warne,RobertL.;Heise,CarlaC.;Menezes,Daniel;Aardalen,Kimberly;Ye,Helen;He,Molly;Le,Vincent;Vora,Jayesh;Jansen,JohannaM.;Wernette-Hammond,MaryEllen;Harris,AlexL.[JournalofMedicinalChemistry,2009,vol.52,#2,p.278-292]

[2]Yan,Wei;Wang,Xinyi;Dai,Yang;Zhao,Bin;Yang,Xinying;Fan,Jun;Gao,Yinglei;Meng,Fanwang;Wang,Yuming;Luo,Cheng;Ai,Jing;Geng,Meiyu;Duan,Wenhu[JournalofMedicinalChemistry,2016,vol.59,#14,p.6690-6708]

[3]CurrentPatentAssignee:Novartis(w/oSandoz);NOVARTISAG-US2002/103230,2002,A1

Literature
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Tags:54998-00-4 Molecular Formula|54998-00-4 MDL|54998-00-4 SMILES|54998-00-4 5-Morpholino-2-nitroaniline