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CS-W001157 4
Total: USD 88.00

4-(4-nitro-phenyl)-3-oxo-butyric acid ethyl ester

  • CAS No. 62088-12-4

  • Cat. No. CS-0061612
  • Molecule weight251.24
  • Purity≥97%
  • MDL No.None

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

4-(4-nitro-phenyl)-3-oxo-butyric acid ethyl ester|CS-0061612

Structure of 62088-12-4

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General Information

  • CAS No. 62088-12-4
  • Cat. No. CS-0061612
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₃NO₅
  • Molecular Weight 251.24
  • Synonym(s) Ethyl 4-(4-nitrophenyl)-3-oxobutanoate
  • SMILES CCOC(=O)CC(=O)CC1=CC=C(C=C1)[N+](=O)[O-]

Synthesis

  • Route1
    • In-stock
      Meldrum's acid|CS-D1154
      2033-24-1
    • null|null
      64-17-5
    • null|null
      50434-36-1
    • ~%
    • 4-(4-nitro-phenyl)-3-oxo-butyric acid ethyl ester|CS-0061612
      62088-12-4

    References

    • Ohkubo; Kuno; Sakai; Sugiyama; Takasugi Chemical and Pharmaceutical Bulletin, 1994 , vol. 42, # 6 p. 1279 - 1285
  • Route2

    References

    • Kori, Masakuni; Miki, Takashi; Nishimoto, Tomoyuki; Tozawa, Ryuichi Patent: US2003/78251 A1, 2003 ;
  • Route3
    • 4-Nitrobenzeneacetic acid Indobufen  Impurity|CS-0229459
      104-03-0
    • ~%
    • 4-(4-nitro-phenyl)-3-oxo-butyric acid ethyl ester|CS-0061612
      62088-12-4

    References

    • Terai, Takuya; Kikuchi, Kazuya; Iwasawa, Shin-Ya; Kawabe, Takao; Hirata, Yasunobu; Urano, Yasuteru; Nagano, Tetsuo Journal of the American Chemical Society, 2006 , vol. 128, # 21 p. 6938 - 6946

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   86.51
  • LogP   1.6596
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   6

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