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CS-W001157 4
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Ethyl 5-(m-tolyl)isoxazole-3-carboxylate

  • CAS No. 893638-47-6

  • Cat. No. CS-0588401
  • Purity≥98%
  • MDL No.None

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

Ethyl 5-(m-tolyl)isoxazole-3-carboxylate|CS-0588401

Structure of 893638-47-6

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General Information

  • CAS No. 893638-47-6
  • Cat. No. CS-0588401
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₃NO₃
  • Molecular Weight 231.25
  • Synonym(s) ethyl 5-M-tolylisoxazole-3-carboxylate
  • SMILES CCOC(=O)C1=NOC(=C1)C2=CC=CC(=C2)C

Synthesis

  • Route1
    • null|null
      544-97-8
    • null|null
      371157-13-0
    • ~63%
    • Ethyl 5-(m-tolyl)isoxazole-3-carboxylate|CS-0588401
      893638-47-6

    References

    • ASTRAZENECA AB Patent: WO2008/41075 A1, 2008 ; Location in patent: Page/Page column 40 ; WO 2008/041075 A1
  • Route2
    • Ethyl 2,4-dioxo-4-(m-tolyl)butanoate|CS-1390391
      741286-41-9
    • ~%
    • Ethyl 5-(m-tolyl)isoxazole-3-carboxylate|CS-0588401
      893638-47-6

    References

    • Akbarzadeh, Tahmineh; Rafinejad, Ali; Mollaghasem, Javad Malekian; Safavi, Maliheh; Fallah-Tafti, Asal; Pordeli, Mahboobeh; Ardestani, Sussan Kabudanian; Shafiee, Abbas; Foroumadi, Alireza Archiv der Pharmazie, 2012 , vol. 345, # 5 p. 386 - 392
  • Route3

    References

    • Pieroni, Marco; Lilienkampf, Annamaria; Wang, Yuehong; Wan, Baojie; Cho, Sanghyun; Franzblau, Scott G.; Kozikowski, Alan P. ChemMedChem, 2010 , vol. 5, # 10 p. 1667 - 1672

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

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Computational Chemistry Data

  • TPSA   52.33
  • LogP   2.82672
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   3

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