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Home Carboxes 94413-64-6
94413-64-6,MFCD07367894
Catalog No.:AA00H7HL

94413-64-6 | 2-Cyano-4-pyridine carboxylic acid methyl ester

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$11.00   $8.00
- +
5g
98%
in stock  
$15.00   $11.00
- +
10g
98%
in stock  
$18.00   $13.00
- +
25g
98%
in stock  
$41.00   $29.00
- +
100g
96%
in stock  
$138.00   $97.00
- +
500g
96%
in stock  
$643.00   $450.00
- +
  • 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:
AA00H7HL
Chemical Name:
2-Cyano-4-pyridine carboxylic acid methyl ester
CAS Number:
94413-64-6
Molecular Formula:
C8H6N2O2
Molecular Weight:
162.1454
MDL Number:
MFCD07367894
SMILES:
COC(=O)c1ccnc(c1)C#N
Properties
Properties
 
BP:
296.6°C at 760 mmHg  
Form:
Solid  
MP:
107 - 109 °C  
Storage:
Inert atmosphere;Room Temperature;  

Computed Properties
 
Complexity:
218  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Rotatable Bond Count:
2  
XLogP3:
0.8  

Upstream Synthesis Route

[1]Patent:US9139612,2015,B2,.Locationinpatent:Page/Pagecolumn153;154;159

[2]Patent:US2017/100390,2017,A1,.Locationinpatent:Paragraph1104

[3]Patent:WO2018/170465,2018,A1,.Locationinpatent:Paragraph248

[1]Patent:CN104151297,2016,B,.Locationinpatent:Paragraph0039;0040

[2]JournalofMedicinalChemistry,2009,vol.52,#10,p.3385-3396

[1]Patent:CN104151297,2016,B,.Locationinpatent:Paragraph0037;0038

[1]Patent:WO2013/127268,2013,A1,.Locationinpatent:Page/Pagecolumn71;72

[2]Patent:EP2533783,2015,B1,.Locationinpatent:Paragraph0425-0426

[3]Tetrahedron,2018,vol.74,#25,p.3165-3170

[1]Patent:CN104151297,2016,B,.Locationinpatent:Paragraph0041;0042

Downstream Synthesis Route

[1]Patent:WO2013/127268,2013,A1.Locationinpatent:Page/Pagecolumn71;72

[2]Patent:US2003/236264,2003,A1.Locationinpatent:Page51

[3]Patent:US2017/100390,2017,A1.Locationinpatent:Paragraph1102;1105

[4]Patent:WO2018/170465,2018,A1.Locationinpatent:Paragraph249

[1]Patent:CN107573330,2018,A.Locationinpatent:Paragraph0028;0029;0030;0031;0047;0049;0050-0063

[2]Patent:CN104151297,2016,B.Locationinpatent:Paragraph0047;0048

[3]Patent:EP1471065,2004,A1.Locationinpatent:Page8

[4]Patent:CN107652271,2018,A.Locationinpatent:Paragraph0065-0074

[1]Patent:EP1471065,2004,A1.Locationinpatent:Page7

[1]Patent:US6509361,2003,B1

Literature
Quotation Request
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Additional Info:
SDS
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Tags:94413-64-6 Molecular Formula|94413-64-6 MDL|94413-64-6 SMILES|94413-64-6 2-Cyano-4-pyridine carboxylic acid methyl ester