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3998-90-1,MFCD04038391
Catalog No.:AA003539

3998-90-1 | Methyl 2-chloro-6-methylpyridine-4-carboxylate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$7.00   $5.00
- +
5g
98%
in stock  
$22.00   $15.00
- +
10g
98%
in stock  
$27.00   $19.00
- +
25g
95%
in stock  
$61.00   $43.00
- +
100g
98%
in stock  
$210.00   $147.00
- +
  • 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:
AA003539
Chemical Name:
Methyl 2-chloro-6-methylpyridine-4-carboxylate
CAS Number:
3998-90-1
Molecular Formula:
C8H8ClNO2
Molecular Weight:
185.6076
MDL Number:
MFCD04038391
SMILES:
COC(=O)c1cc(C)nc(c1)Cl
Properties
Properties
 
BP:
270.7°C at 760 mmHg  
Form:
Solid  
MP:
58-62 °C(lit.)  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
174  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Rotatable Bond Count:
2  
XLogP3:
2.1  

Upstream Synthesis Route

[1]JournaloftheAmericanChemicalSociety,1959,vol.81,p.704,707

[1]BioorganicandMedicinalChemistry,2018,vol.26,#3,p.647-660

[2]Patent:US5962458,1999,A,

[3]Patent:US6362336,2002,B1,.Locationinpatent:Example63

[4]HelveticaChimicaActa,1955,vol.38,p.1046,1058

[5]BulletindelaSocieteChimiquedeFrance,1958,p.687,691

[6]JournaloftheAmericanChemicalSociety,1959,vol.81,p.704,707

[1]Patent:US5962458,1999,A,

[1]Patent:WO2012/153253,2012,A2,.Locationinpatent:Page/Pagecolumn67

[1]TetrahedronLetters,2007,vol.48,#6,p.999-1002

[2]BioorganicandMedicinalChemistryLetters,2012,vol.22,#14,p.4629-4635

[3]Chemistry-AEuropeanJournal,2015,vol.21,#33,p.11745-11756

Downstream Synthesis Route

[1]JournaloftheAmericanChemicalSociety,1959,vol.81,p.704,707

[1]JournaloftheAmericanChemicalSociety,1959,vol.81,p.704,707

[1]TakedaKenkyushoNenpo,1953,vol.12,p.62,64    Chem.Abstr.,1954,p.4695

[1]TetrahedronLetters,2007,vol.48,p.999-1002

[2]BioorganicandMedicinalChemistryLetters,2012,vol.22,p.4629-4635

[3]Chemistry-AEuropeanJournal,2015,vol.21,p.11745-11756

[1]TetrahedronLetters,2007,vol.48,p.999-1002

[2]Tetrahedron,2009,vol.65,p.7673-7686

Literature

Title: Aminopyrazine inhibitors binding to an unusual inactive conformation of the mitotic kinase Nek2: SAR and structural characterization.

Journal: Journal of medicinal chemistry 20101111

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SDS
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