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1001413-01-9,MFCD11111121
Catalog No.:AA0000ZN

1001413-01-9 | 1-(3,4-Difluorobenzyl)-2-oxo-1,2-dihydropyridine-3-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
50mg
95%
in stock  
$75.00   $53.00
- +
250mg
95%
in stock  
$116.00   $82.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA0000ZN
Chemical Name:
1-(3,4-Difluorobenzyl)-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CAS Number:
1001413-01-9
Molecular Formula:
C13H9F2NO3
Molecular Weight:
265.2123
MDL Number:
MFCD11111121
SMILES:
OC(=O)c1cccn(c1=O)Cc1ccc(c(c1)F)F
Properties
Computed Properties
 
Complexity:
447  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.4  

Upstream Synthesis Route

[1]Patent:WO2011/131741,2011,A1,.Locationinpatent:Page/Pagecolumn54

[2]Patent:WO2011/144622,2011,A1,.Locationinpatent:Page/Pagecolumn45

[3]Patent:US2012/94976,2012,A1,.Locationinpatent:Page/Pagecolumn24

[1]Patent:WO2016/198597,2016,A1,.Locationinpatent:Page/Pagecolumn18;19

[2]Patent:WO2017/211946,2017,A1,.Locationinpatent:Page/Pagecolumn21

[1]Patent:WO2008/5457,2008,A2,.Locationinpatent:Page/Pagecolumn178

[1]Patent:WO2008/5457,2008,A2,.Locationinpatent:Page/Pagecolumn64

[1]EuropeanJournalofMedicinalChemistry,2016,vol.118,p.47-63

Downstream Synthesis Route
380198-43-6    1001413-01-9   
C22H18F2N4O4 

[1]Patent:WO2008/5457,2008,A2.Locationinpatent:Page/Pagecolumn59-60

[1]Patent:WO2008/5457,2008,A2.Locationinpatent:Page/Pagecolumn64

1001413-01-9    50714-66-4   
C23H21F2N3O4 

[1]Patent:WO2008/5457,2008,A2.Locationinpatent:Page/Pagecolumn64-65

C10H13N3O2 
  1001413-01-9   
C23H20F2N4O4 

[1]Patent:WO2008/5457,2008,A2.Locationinpatent:Page/Pagecolumn66

1001413-23-5    1001413-01-9   
C26H19F2N5O2 

[1]Patent:WO2008/5457,2008,A2.Locationinpatent:Page/Pagecolumn73

Literature
Quotation Request
Company Name:
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Additional Info:
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SDS
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Tags:1001413-01-9 Molecular Formula|1001413-01-9 MDL|1001413-01-9 SMILES|1001413-01-9 1-(3,4-Difluorobenzyl)-2-oxo-1,2-dihydropyridine-3-carboxylic acid
Catalog No.: AA0000ZN
1001413-01-9,MFCD11111121
1001413-01-9 | 1-(3,4-Difluorobenzyl)-2-oxo-1,2-dihydropyridine-3-carboxylic acid
Pack Size： 50mg
Purity： 95%
in stock
$75.00 $53.00
Pack Size： 250mg
Purity： 95%
in stock
$116.00 $82.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA0000ZN
Chemical Name: 1-(3,4-Difluorobenzyl)-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CAS Number: 1001413-01-9
Molecular Formula: C13H9F2NO3
Molecular Weight: 265.2123
MDL Number: MFCD11111121
SMILES: OC(=O)c1cccn(c1=O)Cc1ccc(c(c1)F)F
Properties
Complexity: 447  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 19  
Hydrogen Bond Acceptor Count: 5  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.4  
Upstream Synthesis Route
41530-32-9    72235-53-1    1001413-01-9 

[1]Patent:WO2011/131741,2011,A1,.Locationinpatent:Page/Pagecolumn54

[2]Patent:WO2011/144622,2011,A1,.Locationinpatent:Page/Pagecolumn45

[3]Patent:US2012/94976,2012,A1,.Locationinpatent:Page/Pagecolumn24

609-71-2    85118-01-0    1001413-01-9 

[1]Patent:WO2016/198597,2016,A1,.Locationinpatent:Page/Pagecolumn18;19

[2]Patent:WO2017/211946,2017,A1,.Locationinpatent:Page/Pagecolumn21

1001414-50-1    1001413-01-9 

[1]Patent:WO2008/5457,2008,A2,.Locationinpatent:Page/Pagecolumn178

1001412-63-0    1001413-01-9 

[1]Patent:WO2008/5457,2008,A2,.Locationinpatent:Page/Pagecolumn64

609-71-2    85118-01-0    1001413-01-9 

[1]EuropeanJournalofMedicinalChemistry,2016,vol.118,p.47-63

Downstream Synthesis Route
380198-43-6    1001413-01-9   
C22H18F2N4O4 

[1]Patent:WO2008/5457,2008,A2.Locationinpatent:Page/Pagecolumn59-60

1001412-63-0    1001413-01-9 

[1]Patent:WO2008/5457,2008,A2.Locationinpatent:Page/Pagecolumn64

1001413-01-9    50714-66-4   
C23H21F2N3O4 

[1]Patent:WO2008/5457,2008,A2.Locationinpatent:Page/Pagecolumn64-65

C10H13N3O2 
  1001413-01-9   
C23H20F2N4O4 

[1]Patent:WO2008/5457,2008,A2.Locationinpatent:Page/Pagecolumn66

1001413-23-5    1001413-01-9   
C26H19F2N5O2 

[1]Patent:WO2008/5457,2008,A2.Locationinpatent:Page/Pagecolumn73

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