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CS-W001157 4
Total: USD 88.00

4-Nitrobenzyl 3-oxobutanoate

  • CAS No. 61312-84-3

  • Cat. No. CS-W012860
  • Molecule weight237.21
  • Purity≥96%
  • MDL No.MFCD00799237

*For research and further manufacturing use only, not for direct human use.

4-Nitrobenzyl 3-oxobutanoate|CS-W012860

Structure of 61312-84-3

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General Information

  • CAS No. 61312-84-3
  • Cat. No. CS-W012860
  • Purity ≥96%
  • MDL No. MFCD00799237
  • Storage RT, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₁NO₅
  • Molecular Weight 237.21
  • Synonym(s) P-nitrobenzyl Acetoacetate
  • SMILES CC(CC(OCC1=CC=C([N+]([O-])=O)C=C1)=O)=O

Synthesis

  • Route1
    • null|null
      674-82-8
    • In-stock
      4-Nitrobenzyl alcohol|CS-W016286
      619-73-8
    • ~97%
    • In-stock
      4-Nitrobenzyl 3-oxobutanoate|CS-W012860
      61312-84-3

    References

    • LG LIFE SCIENCES LTD. Patent: WO2004/111013 A1, 2004 ; Location in patent: Page 39-40 ;
  • Route2

    References

    • Gianotti, Massimo; Martelli, Giorgio; Spunta, Giuseppe; Campana, Eileen; Panunrio, Mauro; Mendozza, Monica Synthetic Communications, 2000 , vol. 30, # 10 p. 1725 - 1730
  • Route3

    References

    • Gianotti, Massimo; Martelli, Giorgio; Spunta, Giuseppe; Campana, Eileen; Panunrio, Mauro; Mendozza, Monica Synthetic Communications, 2000 , vol. 30, # 10 p. 1725 - 1730

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   86.51
  • LogP   1.6171
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   5

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