Home Amines 5345-47-1
5345-47-1,MFCD00006318
Catalog No.:AA00331N

5345-47-1 | 2-Aminonicotinic acid

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5g
97%
in stock  
$11.00   $8.00
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10g
97%
in stock  
$13.00   $9.00
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25g
97%
in stock  
$18.00   $13.00
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50g
95%
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$26.00   $18.00
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100g
97%
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$34.00   $24.00
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500g
97%
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$167.00   $117.00
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  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00331N
Chemical Name:
2-Aminonicotinic acid
CAS Number:
5345-47-1
Molecular Formula:
C6H6N2O2
Molecular Weight:
138.1240
MDL Number:
MFCD00006318
SMILES:
OC(=O)c1cccnc1N
NSC Number:
3049
Properties
Properties
 
BP:
342.3°C at 760 mmHg  
Form:
Solid  
MP:
295-297 °C (dec.)(lit.)  
Refractive Index:
1.5100 (estimate)  
Storage:
Inert atmosphere;Room Temperature;  

Computed Properties
 
Complexity:
138  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
1  
XLogP3:
1.5  

Upstream Synthesis Route

[1]JournaloftheChemicalSociety,1951,p.3512

[1]BioorganicandMedicinalChemistry,2011,vol.19,#5,p.1623-1642

[2]MedicinalChemistryResearch,2011,vol.20,#4,p.408-420

[3]Synthesis,1998,#10,p.1467-1475

[4]Patent:WO2018/125961,2018,A1,.Locationinpatent:Page/Pagecolumn103;104

[5]MonatsheftefuerChemie,1900,vol.21,p.963

[6]MonatsheftefuerChemie,1902,vol.23,p.935

[7]Patent:EP2065377,2009,A1,.Locationinpatent:Page/Pagecolumn78

[8]EuropeanJournalofMedicinalChemistry,2018,vol.152,p.235-252

[1]Synthesis,1998,#10,p.1467-1475

[1]JournaloftheChemicalSociety,1951,p.3512

[1]Patent:CN108997207,2018,A,.Locationinpatent:Paragraph0008;0029

Downstream Synthesis Route

[1]Tetrahedron,2014,vol.70,p.5541-5549

[2]Patent:WO2019/99336,2019,A1.Locationinpatent:Page/Pagecolumn190

[3]EuropeanJournalofMedicinalChemistry,2012,vol.52,p.284-294

[4]SyntheticCommunications,2006,vol.36,p.181-186

[5]Patent:WO2005/32481,2005,A2.Locationinpatent:Page/Pagecolumn38

[6]Patent:EP1782811,2007,A1.Locationinpatent:Page/Pagecolumn42

[7]Patent:EP1669348,2006,A1.Locationinpatent:Page/Pagecolumn50

[8]AngewandteChemie-InternationalEdition,2020,vol.59,p.4770-4777    Angew.Chem.,2020,vol.132,p.4800-4807,8

[9]Patent:US2010/160314,2010,A1.Locationinpatent:Page/Pagecolumn61

[10]MonatsheftefurChemie,1900,vol.21,p.963    MonatsheftefuerChemie,1902,vol.23,p.935

[11]ChemischeBerichte,1927,vol.60,p.408

[12]Patent:EP1790650,2007,A1.Locationinpatent:Page/Pagecolumn51

[13]ChemicalCommunications,2016,vol.52,p.9283-9286

[1]Carboni[GazzettaChimicaItaliana,1955,vol.85,p.1194,1198]

[1]Patent:WO2008/82490,2008,A2.Locationinpatent:Page/Pagecolumn70

[2]Patent:TWI525093,2016,B.Locationinpatent:Page/Pagecolumn101;

[3]Patent:WO2007/67416,2007,A2.Locationinpatent:Page/Pagecolumn64;134

[4]Patent:WO2007/86080,2007,A2.Locationinpatent:Page/Pagecolumn37

[5]Heterocycles,1993,vol.36,p.2513-2522

[6]Patent:WO2015/95128,2015,A1.Locationinpatent:Paragraph0239;0240;0241

[7]JournaloftheChemicalSociety,1956,p.1045,1053

[8]Pharmazie,1995,vol.50,p.719-722

[9]BioorganicandMedicinalChemistry,2001,vol.9,p.2061-2071

[10]Patent:WO2010/97335,2010,A1.Locationinpatent:Page/Pagecolumn26

[11]OrganicandBiomolecularChemistry,2011,vol.9,p.7113-7125

[12]Patent:WO2012/595,2012,A1.Locationinpatent:Page/Pagecolumn73

[13]Patent:US2013/102603,2013,A1.Locationinpatent:Paragraph0271;0272;0273

[1]TetrahedronLetters,2002,vol.43,p.3911-3913

[2]BioorganicandMedicinalChemistry,2018,vol.26,p.1713-1726

[3]JournalofMedicinalChemistry,2016,vol.59,p.2794-2809

[4]JournalofMedicinalChemistry,2013,vol.56,p.9482-9495

[5]JournaloftheChemicalSociety,1956,p.1045,1053

[6]ACSMedicinalChemistryLetters,2020,vol.11,p.83-89

[1]ChemistryLetters,2005,vol.34,p.1438-1439

[2]JournalofMedicinalChemistry,2016,vol.59,p.1370-1387

[3]Patent:WO2005/49033,2005,A1.Locationinpatent:Page/Pagecolumn109-110

[4]ChemMedChem,2014,vol.9,p.2516-2527

[5]JournalofHeterocyclicChemistry,1990,vol.27,p.287-289

[6]Patent:CN106083742,2016,A.Locationinpatent:Paragraph0211;0212;0213

[7]JournaloftheAmericanChemicalSociety,1955,vol.77,p.2256,2259

[8]Patent:WO2011/104183,2011,A1.Locationinpatent:Page/Pagecolumn45

[9]Tetrahedron,2012,vol.68,p.8908-8915

[10]Patent:US2012/316184,2012,A1.Locationinpatent:Page/Pagecolumn21

Literature

Title: Molecular structure (monomeric and dimeric structure) and HOMO-LUMO analysis of 2-aminonicotinic acid: a comparison of calculated spectroscopic properties with FT-IR and UV-vis.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20120601

Title: 2-Amino-3-carb-oxy-pyridinium chloride hemihydrate.

Journal: Acta crystallographica. Section E, Structure reports online 20120501

Title: Bis(2-amino-3-carb-oxy-pyridinium) sulfate trihydrate.

Journal: Acta crystallographica. Section E, Structure reports online 20110401

Title: Practical syntheses of a CXCR3 antagonist.

Journal: The Journal of organic chemistry 20110318

Title: 2-Amino-pyridinium 1-phenyl-cyclo-propane-1-carboxyl-ate.

Journal: Acta crystallographica. Section E, Structure reports online 20101201

Title: An organogallium subfluoride and subhydroxide: three Ga-Ga bonds in single molecules.

Journal: Chemical communications (Cambridge, England) 20091128

Title: Efficient solid-phase synthesis of a library of imidazo[1,2-a]pyridine-8-carboxamides.

Journal: Journal of combinatorial chemistry 20070101

Title: Alkylation activity and molecular properties of two antineoplastic agents that utilise indometacin and a conjugate of aspirin with 2-aminonicotinic acid to transport nitrogen mustard groups.

Journal: Drugs in R&D 20070101

Title: Diastereoselective formation of metallamacrocyclic (arene)Ru(II) and CpRh(III) complexes.

Journal: Inorganic chemistry 20040308

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