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CS-W001157 4
Total: USD 88.00

Ethyl 4-(3-nitrophenyl)-3-oxobutanoate

  • CAS No. 116904-71-3

  • Cat. No. CS-0237671
  • Molecule weight251.24
  • Purity95+%
  • MDL No.None

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

Ethyl 4-(3-nitrophenyl)-3-oxobutanoate|CS-0237671

Structure of 116904-71-3

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General Information

  • CAS No. 116904-71-3
  • Cat. No. CS-0237671
  • Purity 95+%
  • 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) None
  • SMILES O=C(OCC)CC(CC1=CC=CC([N+]([O-])=O)=C1)=O

Synthesis

  • Route1

    References

    • Kori, Masakuni; Miki, Takashi; Nishimoto, Tomoyuki; Tozawa, Ryuichi Patent: US2003/78251 A1, 2003 ;
  • Route2
    • null|null
      623-73-4
    • 2-(3-Nitrophenyl)oxirane|CS-0252822
      20697-05-6
    • ~93%
    • Ethyl 4-(3-nitrophenyl)-3-oxobutanoate|CS-0237671
      116904-71-3

    References

    • Rao, D. Chandra; Reddy, D. Kumar; Shekhar; Chinababu; Rao, Ch. Bhujanga; Venkateswarlu Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2014 , vol. 53, # 3 p. 356 - 358
  • Route3

    References

    • Mai, Antonello; Artico, Marino; Sbardella, Gianluca; Massa, Silvio; Novellino, Ettore; Greco, Giovanni; Loi, Anna Giulia; Tramontane, Enzo; Marongiu, Maria Elena; La Colla, Paolo Journal of Medicinal Chemistry, 1999 , vol. 42, # 4 p. 619 - 627

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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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