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CS-W001157 4
Total: USD 88.00

4-(3-Nitrophenyl)-4-oxobutanoic acid

  • CAS No. 6328-00-3

  • Cat. No. CS-0240088
  • Molecule weight223.18
  • Purity≥97%
  • MDL No.None

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

4-(3-Nitrophenyl)-4-oxobutanoic acid|CS-0240088

Structure of 6328-00-3

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General Information

  • CAS No. 6328-00-3
  • Cat. No. CS-0240088
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉NO₅
  • Molecular Weight 223.18
  • Synonym(s) γ-Oxo-3-nitrobenzenebutyric acid
  • SMILES O=C(O)CCC(C1=CC=CC([N+]([O-])=O)=C1)=O

Synthesis

  • Route1

    References

    • Kamata, Makoto; Yamashita, Toshiro; Imaeda, Toshihiro; Tanaka, Toshio; Terauchi, Jun; Miyamoto, Maki; Ora, Taiichi; Tawada, Michiko; Endo, Satoshi; Takekawa, Shiro; Asami, Asano; Suzuki, Nobuhiro; Nagisa, Yasutaka; Nakano, Yoshihide; Watanabe, Kaoru; Ogino, Hitomi; Kato, Koki; Kato, Kaneyoshi; Ishihara, Yuji Bioorganic and Medicinal Chemistry, 2011 , vol. 19, # 18 p. 5539 - 5552
  • Route2
    • null|null
      13130-14-8
    • ~%
    • 4-(3-Nitrophenyl)-4-oxobutanoic acid|CS-0240088
      6328-00-3

    References

    • US6323240 B1, ;
  • Route3
    • null|null
      292638-85-8
    • null|null
      28951-72-6
    • ~64%
    • 4-(3-Nitrophenyl)-4-oxobutanoic acid|CS-0240088
      6328-00-3

    References

    • Pawar; Waghmare; Lokhande Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2006 , vol. 45, # 11 p. 2549 - 2551

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   97.51
  • LogP   1.6423
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   5

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