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CS-W001157 4
Total: USD 88.00

2-Methoxyethyl 2-(3-Nitrobenzylidene)-3-oxobutyrate

  • CAS No. 39562-22-6

  • Cat. No. CS-0155156
  • Molecule weight293.27
  • Purity≥98%
  • MDL No.MFCD00521048

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

2-Methoxyethyl 2-(3-Nitrobenzylidene)-3-oxobutyrate|CS-0155156

Structure of 39562-22-6

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General Information

  • CAS No. 39562-22-6
  • Cat. No. CS-0155156
  • Purity ≥98%
  • MDL No. MFCD00521048
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₅NO₆
  • Molecular Weight 293.27
  • Synonym(s) 2-Methoxyethyl-2-(3-nitrobenzylidene)acetoacetate
  • SMILES CC(C(C(OCCOC)=O)=CC1=CC=CC([N+]([O-])=O)=C1)=O

Synthesis

  • Route1
    • In-stock
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      22502-03-0
    • 3-Nitrobenzaldehyde Erlotinib Impurity|CS-0204123
      99-61-6
    • p-Anisic acid, ≥99%|CS-1268349
      100-09-4
    • ~89%
    • In-stock
      2-Methoxyethyl 2-(3-Nitrobenzylidene)-3-oxobutyrate|CS-0155156
      39562-22-6

    References

    • Lusochimica S.p.A. Patent: US6015906 A1, 2000 ;
  • Route2

    References

    • Meyer; Wehinger; Bossert; Scherling Arzneimittel-Forschung/Drug Research, 1983 , vol. 33, # 1 p. 106 - 112

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   95.74
  • LogP   1.7568
  • H_Acceptors   6
  • H_Donors   0
  • Rotatable_Bonds   7

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