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Home Other Building Blocks 79398-27-9
79398-27-9,MFCD09152693
Catalog No.:AA0051Y8

79398-27-9 | Methyl 4,6-dihydroxynicotinate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$95.00   $67.00
- +
5g
95%
in stock  
$185.00   $130.00
- +
25g
95%
in stock  
$630.00   $441.00
- +
  • 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:
AA0051Y8
Chemical Name:
Methyl 4,6-dihydroxynicotinate
CAS Number:
79398-27-9
Molecular Formula:
C7H7NO4
Molecular Weight:
169.1348
MDL Number:
MFCD09152693
SMILES:
COC(=O)c1cnc(cc1O)O
NSC Number:
112516
Properties
Properties
 
BP:
325.9°C at 760 mmHg  
Form:
Solid  
MP:
252-255 °C  
Storage:
Inert atmosphere;Room Temperature;  

Computed Properties
 
Complexity:
290  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
2  
XLogP3:
-0.3  

Upstream Synthesis Route

[1]ACSMedicinalChemistryLetters,2014,vol.5,#7,p.787-792

[1]Patent:US2012/184562,2012,A1,.Locationinpatent:Page/Pagecolumn6;17

[2]Patent:CN106854177,2017,A,.Locationinpatent:Paragraph0016;0018;0024;0030

[3]Patent:WO2014/210354,2014,A1,.Locationinpatent:Page/Pagecolumn40

[4]Patent:WO2012/110860,2012,A1,.Locationinpatent:Page/Pagecolumn98

[1]Patent:US2006/217417,2006,A1,.Locationinpatent:Page/Pagecolumn12

[2]JournalofHeterocyclicChemistry,1983,vol.20,p.1363-1366

[3]JournaloftheChineseChemicalSociety,2016,vol.63,#9,p.758-769

[1]ACSMedicinalChemistryLetters,2014,vol.5,#7,p.787-792

[1]Patent:US6307054,2001,B1,

Downstream Synthesis Route

[1]JournalofHeterocyclicChemistry,1983,vol.20,p.1363-1366

[1]JournalofHeterocyclicChemistry,1983,vol.20,p.1363-1366

[1]JournalofHeterocyclicChemistry,1983,vol.20,p.1363-1366

[2]JournaloftheChineseChemicalSociety,2016,vol.63,p.758-769

[1]Patent:US2006/217417,2006,A1.Locationinpatent:Page/Pagecolumn12

[2]JournalofHeterocyclicChemistry,1983,vol.20,p.1363-1366

[3]JournaloftheChineseChemicalSociety,2016,vol.63,p.758-769

[1]JournalofHeterocyclicChemistry,1983,vol.20,p.1363-1366

Literature

Title: Methyl 4,6-dichloro-pyridine-3-carboxyl-ate.

Journal: Acta crystallographica. Section E, Structure reports online 20080601

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SDS
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