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CS-W001157 4
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Methyl 5-(4-nitrophenyl)isoxazole-3-carboxylate

  • CAS No. 487034-01-5

  • Cat. No. CS-0452820
  • Purity≥98%
  • MDL No.None

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

Methyl 5-(4-nitrophenyl)isoxazole-3-carboxylate|CS-0452820

Structure of 487034-01-5

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General Information

  • CAS No. 487034-01-5
  • Cat. No. CS-0452820
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₈N₂O₅
  • Molecular Weight 248.19
  • Synonym(s) 5-(4-nitro-phenyl)-isoxazole-3-carboxylic acid methyl ester
  • SMILES COC(=O)C1=NOC(=C1)C2=CC=C(C=C2)[N+](=O)[O-]

Synthesis

  • Route1
    • null|null
      553-90-2
    • p-Nitrophenyl methyl ketone Clenbuterol  Impurity|CS-0229063
      100-19-6
    • ~36%
    • Methyl 5-(4-nitrophenyl)isoxazole-3-carboxylate|CS-0452820
      487034-01-5

    References

    • Srinivasan, Rajavel; Uttamchandani, Mahesh; Yao, Shao Q. Organic Letters, 2006 , vol. 8, # 4 p. 713 - 716
  • Route2
    • Methyl 4-(4-nitrophenyl)-2,4-dioxobutanoate|CS-0452114
      39757-36-3
    • ~%
    • Methyl 5-(4-nitrophenyl)isoxazole-3-carboxylate|CS-0452820
      487034-01-5

    References

    • Zeng, Li-Fan; Zhang, Hu-Shan; Wang, Yun-Hua; Sanchez, Tino; Zheng, Yong-Tang; Neamati, Nouri; Long, Ya-Qiu Bioorganic and Medicinal Chemistry Letters, 2008 , vol. 18, # 16 p. 4521 - 4524
  • Route3
    • p-Nitrophenyl methyl ketone Clenbuterol  Impurity|CS-0229063
      100-19-6
    • ~%
    • Methyl 5-(4-nitrophenyl)isoxazole-3-carboxylate|CS-0452820
      487034-01-5

    References

    • Kamal, Ahmed; Tamboli, Jaki R.; Vishnuvardhan; Adil; Nayak, V. Lakshma; Ramakrishna Bioorganic and Medicinal Chemistry Letters, 2013 , vol. 23, # 1 p. 273 - 280

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
Precautionary Statements : P264-P270-P330-P501

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Computational Chemistry Data

  • TPSA   95.47
  • LogP   2.0364
  • H_Acceptors   6
  • H_Donors   0
  • Rotatable_Bonds   3

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