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1245563-09-0,MFCD17015848
Catalog No.:AA000M3W

1245563-09-0 | Dimethyl 2-(5-bromo-3-nitropyridin-2-yl)malonate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$43.00   $30.00
- +
5g
98%
in stock  
$107.00   $75.00
- +
25g
98%
in stock  
$250.00   $175.00
- +
100g
98%
in stock  
$567.00 $397.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA000M3W
Chemical Name:
Dimethyl 2-(5-bromo-3-nitropyridin-2-yl)malonate
CAS Number:
1245563-09-0
Molecular Formula:
C10H9BrN2O6
Molecular Weight:
333.0923
MDL Number:
MFCD17015848
SMILES:
COC(=O)C(c1ncc(cc1[N+](=O)[O-])Br)C(=O)OC
Properties
Computed Properties
 
Complexity:
356  
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:
7  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
5  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.3  

Downstream Synthesis Route

[1]JournalofMedicinalChemistry,2012,vol.55,p.7667-7685

[2]Patent:WO2014/89324,2014,A1.Locationinpatent:Paragraph0214

[3]Patent:CN104016979,2017,B.Locationinpatent:Paragraph0521;0522;0523;0524

[1]CurrentPatentAssignee:CALITORSCIENCESLLC;SHENZHENDONGYANGGUANGINDUSTRIALDEVELOPMENTCOLTD-WO2014/89324,2014,A1Locationinpatent:Paragraph0215

[2]CurrentPatentAssignee:SHENZHENDONGYANGGUANGINDUSTRIALDEVELOPMENTCOLTD;CALITORSCIENCESLLC-CN104016979,2017,BLocationinpatent:Paragraph0525;0526;0527

[3]Gonzalez-LopezDeTuriso,Felix;Shin,Youngsook;Brown,Matthew;Cardozo,Mario;Chen,Yi;Fong,David;Hao,Xiaolin;He,Xiao;Henne,Kirk;Hu,Yi-Ling;Johnson,MichaelG.;Kohn,Todd;Lohman,Julia;McBride,HelenJ.;McGee,LawrenceR.;Medina,JulioC.;Metz,Daniela;Miner,Kent;Mohn,Deanna;Pattaropong,Vatee;Seganish,Jennifer;Simard,JillianL.;Wannberg,Sharon;Whittington,DouglasA.;Yu,Gang;Cushing,TimothyD.[JournalofMedicinalChemistry,2012,vol.55,#17,p.7667-7685]

Literature
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SDS
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Tags:1245563-09-0 Molecular Formula|1245563-09-0 MDL|1245563-09-0 SMILES|1245563-09-0 Dimethyl 2-(5-bromo-3-nitropyridin-2-yl)malonate
Catalog No.: AA000M3W
1245563-09-0,MFCD17015848
1245563-09-0 | Dimethyl 2-(5-bromo-3-nitropyridin-2-yl)malonate
Pack Size： 1g
Purity： 98%
in stock
$43.00 $30.00
Pack Size： 5g
Purity： 98%
in stock
$107.00 $75.00
Pack Size： 25g
Purity： 98%
in stock
$250.00 $175.00
Pack Size： 100g
Purity： 98%
in stock
$567.00 $397.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA000M3W
Chemical Name: Dimethyl 2-(5-bromo-3-nitropyridin-2-yl)malonate
CAS Number: 1245563-09-0
Molecular Formula: C10H9BrN2O6
Molecular Weight: 333.0923
MDL Number: MFCD17015848
SMILES: COC(=O)C(c1ncc(cc1[N+](=O)[O-])Br)C(=O)OC
Properties
Complexity: 356  
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: 7  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 5  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.3  
Downstream Synthesis Route
67443-38-3    108-59-8    1245563-09-0 

[1]JournalofMedicinalChemistry,2012,vol.55,p.7667-7685

[2]Patent:WO2014/89324,2014,A1.Locationinpatent:Paragraph0214

[3]Patent:CN104016979,2017,B.Locationinpatent:Paragraph0521;0522;0523;0524

1245563-09-0    1259512-09-8 

[1]CurrentPatentAssignee:CALITORSCIENCESLLC;SHENZHENDONGYANGGUANGINDUSTRIALDEVELOPMENTCOLTD-WO2014/89324,2014,A1Locationinpatent:Paragraph0215

[2]CurrentPatentAssignee:SHENZHENDONGYANGGUANGINDUSTRIALDEVELOPMENTCOLTD;CALITORSCIENCESLLC-CN104016979,2017,BLocationinpatent:Paragraph0525;0526;0527

[3]Gonzalez-LopezDeTuriso,Felix;Shin,Youngsook;Brown,Matthew;Cardozo,Mario;Chen,Yi;Fong,David;Hao,Xiaolin;He,Xiao;Henne,Kirk;Hu,Yi-Ling;Johnson,MichaelG.;Kohn,Todd;Lohman,Julia;McBride,HelenJ.;McGee,LawrenceR.;Medina,JulioC.;Metz,Daniela;Miner,Kent;Mohn,Deanna;Pattaropong,Vatee;Seganish,Jennifer;Simard,JillianL.;Wannberg,Sharon;Whittington,DouglasA.;Yu,Gang;Cushing,TimothyD.[JournalofMedicinalChemistry,2012,vol.55,#17,p.7667-7685]

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