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61312-84-3,MFCD00799237
Catalog No.:AA003BTS

61312-84-3 | 4-Nitrobenzyl acetoacetate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
10g
97%
in stock  
$6.00   $4.00
- +
100g
97%
in stock  
$21.00   $15.00
- +
500g
97%
in stock  
$90.00   $63.00
- +
  • 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:
AA003BTS
Chemical Name:
4-Nitrobenzyl acetoacetate
CAS Number:
61312-84-3
Molecular Formula:
C11H11NO5
Molecular Weight:
237.2087
MDL Number:
MFCD00799237
SMILES:
CC(=O)CC(=O)OCc1ccc(cc1)[N+](=O)[O-]
Properties
Properties
 
BP:
376.5°C at 760 mmHg  
Form:
Solid  
MP:
45 °C  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
302  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Rotatable Bond Count:
5  
XLogP3:
1.6  

Upstream Synthesis Route

[1]Patent:WO2004/111013,2004,A1,.Locationinpatent:Page39-40

[1]SyntheticCommunications,2000,vol.30,#10,p.1725-1730

[2]CanadianJournalofChemistry,1984,vol.62,#12,p.2936-2940

[3]SyntheticCommunications,2001,vol.31,#13,p.2063-2066

[4]JournaloftheChemicalSociety.PerkinTransactions1,2001,#8,p.662-667

[1]RSCAdvances,2015,vol.5,#24,p.18972-18976

[1]SyntheticCommunications,2000,vol.30,#10,p.1725-1730

Downstream Synthesis Route

[1]SyntheticCommunications,2000,vol.30,p.1725-1730

[2]CanadianJournalofChemistry,1984,vol.62,p.2936-2940

[3]SyntheticCommunications,2001,vol.31,p.2063-2066

[4]JournaloftheChemicalSociety.PerkinTransactions1(2001),2001,p.662-667

[1]CanadianJournalofChemistry,1984,vol.62,p.2936-2940

[2]TetrahedronLetters,2016,vol.57,p.3330-3333

[3]EuropeanJournalofOrganicChemistry,2016,vol.2016,p.5569-5578

[4]AngewandteChemie-InternationalEdition,2013,vol.52,p.6288-6292    Angew.Chem.,2013,vol.125,p.6408-6412,5

[1]JournaloftheChemicalSociety.PerkinTransactions1(2001),2001,p.662-667

[1]SyntheticCommunications,2000,vol.30,p.1725-1730

99-61-6    626-34-6    61312-84-3   
2,6-dimethyl-4-(3-nitro-phenyl)-1,4-dihydro-pyridine-3,5-dicarboxylicacid3-ethylester5-(4-nitro-benzyl)ester 

[1]BiochemicalPharmacology,2003,vol.65,p.329-338

Literature
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SDS
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