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4595-61-3,MFCD00008166
Catalog No.:AA003MVR

4595-61-3 | Pyrimidine-5-carboxylic acid

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250mg
97%
in stock  
$9.00   $7.00
- +
1g
97%
in stock  
$12.00   $8.00
- +
5g
97%
in stock  
$35.00   $25.00
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10g
97%
in stock  
$62.00   $43.00
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100g
97%
in stock  
$581.00   $407.00
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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:
AA003MVR
Chemical Name:
Pyrimidine-5-carboxylic acid
CAS Number:
4595-61-3
Molecular Formula:
C5H4N2O2
Molecular Weight:
124.0975
MDL Number:
MFCD00008166
SMILES:
OC(=O)c1cncnc1
Properties
Properties
 
BP:
318.7°C at 760 mmHg  
Form:
Solid  
MP:
259 °C  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
110  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
-0.3  

Upstream Synthesis Route

[1]Patent:US2007/259855,2007,A1,.Locationinpatent:Page/Pagecolumn17-18

[1]JournaloftheChemicalSociety,PerkinTransactions1:OrganicandBio-OrganicChemistry(1972-1999),1995,#20,p.2595-2598

[2]Patent:WO2010/102218,2010,A1,.Locationinpatent:Page/Pagecolumn27

[3]EuropeanJournalofMedicinalChemistry,2014,vol.84,p.404-416

[1]BioorganicandMedicinalChemistryLetters,2000,vol.10,#15,p.1723-1727

[1]JournalofOrganicChemistry,1955,vol.20,p.829,833,835

[1]JournalofOrganicChemistry,1955,vol.20,p.829,833,835

Downstream Synthesis Route

[1]BulletindesSocietesChimiquesBelges,1957,vol.66,p.276,289

[1]JournalofOrganicChemistry,1955,vol.20,p.829,833,835

[1]JournalofOrganicChemistry,1992,vol.57,p.3000-3007

[1]JournalofMedicinalChemistry,1989,vol.32,p.1481-1491

[1]CancerLetters,2019,vol.445,p.1-10

[2]JournalofHeterocyclicChemistry,1985,vol.22,p.437-439

[3]Patent:WO2005/73189,2005,A1.Locationinpatent:Page/Pagecolumn57

[4]Patent:WO2006/91674,2006,A1.Locationinpatent:Page/Pagecolumn74-75

[5]Patent:US2006/217362,2006,A1.Locationinpatent:Page/Pagecolumn31

[6]AngewandteChemie-InternationalEdition,2011,vol.50,p.10448-10452

[7]JournalofMedicinalChemistry,2015,vol.58,p.1669-1690

[8]Patent:WO2009/148452,2009,A1.Locationinpatent:Page/Pagecolumn78-79

Literature

Title: Synthesis and anti-inflammatory evaluation of new substituted 1-(3-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrazole derivatives.

Journal: Acta poloniae pharmaceutica 20120101

Title: Topologies of metal-organic frameworks based on pyrimidine-5-carboxylate and unexpected gas-sorption selectivity for CO(2).

Journal: Inorganic chemistry 20101206

Title: Synthesis and characterisation of heterometallic molecular triangles using ambidentate linker: self-selection of a single linkage isomer.

Journal: Dalton transactions (Cambridge, England : 2003) 20090507

Title: Dual role of azide in the formation of a 3D coordination polymer containing bridging 5-pyrimidinecarboxylate.

Journal: Dalton transactions (Cambridge, England : 2003) 20071028

Title: Agonist lead identification for the high affinity niacin receptor GPR109a.

Journal: Bioorganic & medicinal chemistry letters 20070901

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SDS
Tags:4595-61-3 Molecular Formula|4595-61-3 MDL|4595-61-3 SMILES|4595-61-3 Pyrimidine-5-carboxylic acid