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82419-35-0,MFCD00226106
Catalog No.:AA0038C7

82419-35-0 | 9,10-Difluoro-2,3-dihydro-3-methyl-7-oxo-7h-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$19.00   $14.00
- +
5g
97%
in stock  
$29.00   $21.00
- +
10g
97%
in stock  
$54.00   $38.00
- +
100g
97%
in stock  
$411.00   $288.00
- +
  • 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:
AA0038C7
Chemical Name:
9,10-Difluoro-2,3-dihydro-3-methyl-7-oxo-7h-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid
CAS Number:
82419-35-0
Molecular Formula:
C13H9F2NO4
Molecular Weight:
281.2117
MDL Number:
MFCD00226106
SMILES:
OC(=O)c1cn2C(C)COc3c2c(c1=O)cc(c3F)F
Properties
Computed Properties
 
Complexity:
495  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
1  
XLogP3:
2.1  

Upstream Synthesis Route

[1]Patent:CN103755722,2016,B,.Locationinpatent:Paragraph0062-0063

[2]LettersinOrganicChemistry,2018,vol.15,#9,p.739-746

[3]RussianJournalofGeneralChemistry,2016,vol.86,#12,p.2865-2869

[4]Zh.Obshch.Khim.,2016,vol.86,#12,p.2865-2869,5

[5]ChemicalandPharmaceuticalBulletin,1984,vol.32,#12,p.4907-4913

[6]Heterocycles,1998,vol.48,#6,p.1111-1116

[7]Heterocycles,1999,vol.51,#7,p.1563-1572

[8]Patent:US4382892,1983,A,

[9]Patent:CN103360410,2016,B,.Locationinpatent:Paragraph0014;0045;0046

[1]Patent:US5521310,1996,A,

[1]Patent:US5521310,1996,A,

[1]Patent:US5051505,1991,A,

[1]Patent:US5952494,1999,A,

Downstream Synthesis Route

[1]TetrahedronLetters,2001,vol.42,p.6775-6777

[2]ChemicalandPharmaceuticalBulletin,1984,vol.32,p.4907-4913

[1]ChemicalandPharmaceuticalBulletin,1984,vol.32,p.4907-4913

[1]ChemicalandPharmaceuticalBulletin,1984,vol.32,p.4907-4913

[1]ChemicalandPharmaceuticalBulletin,1984,vol.32,p.4907-4913

[1]ChemicalandPharmaceuticalBulletin,1984,vol.32,p.4907-4913

Literature

Title: Evaluation of 3-carboxy-4(1H)-quinolones as inhibitors of human protein kinase CK2.

Journal: Journal of medicinal chemistry 20061102

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SDS
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Tags:82419-35-0 Molecular Formula|82419-35-0 MDL|82419-35-0 SMILES|82419-35-0 9,10-Difluoro-2,3-dihydro-3-methyl-7-oxo-7h-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid |Fluorinated_Building_Blocks