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CS-W001157 4
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Methyl 2-(2-nitrobenzylidene)-3-oxobutanoate

  • CAS No. 39562-27-1

  • Cat. No. CS-0504811
  • Molecule weight249.22
  • Purity≥98%
  • MDL No.MFCD00551860

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

Methyl 2-(2-nitrobenzylidene)-3-oxobutanoate|CS-0504811

Structure of 39562-27-1

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General Information

  • CAS No. 39562-27-1
  • Cat. No. CS-0504811
  • Purity ≥98%
  • MDL No. MFCD00551860
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₁NO₅
  • Molecular Weight 249.22
  • Synonym(s) Methyl 2-[(2-nitrophenyl)methylidene]-3-oxobutanoate
  • SMILES O=C(C)C(C(OC)=O)=CC1=CC=CC=C1[N+]([O-])=O

Synthesis

  • Route1

    References

    • Adachi; Yamamori; Hiramatsu; Sakai; Sato; Kawakami; Uno; Ueda Chemical and Pharmaceutical Bulletin, 1987 , vol. 35, # 8 p. 3235 - 3252
  • Route2

    References

    • Bayer Aktiengesellschaft Patent: US4600778 A1, 1986 ;
  • Route3

    References

    • David, J. Y.; Hurvois, J. P.; Tallec, A.; Toupet, L. Tetrahedron, 1995 , vol. 51, # 11 p. 3181 - 3196

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07,GHS09
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H317-H411
Precautionary Statements : P261-P271-P273-P280

Quality Control

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Computational Chemistry Data

  • TPSA   86.51
  • LogP   1.7402
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   4

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