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CS-W001157 4
Total: USD 88.00

3-(4-Methoxyphenyl)isoxazol-5(4H)-one

  • CAS No. 31709-47-4

  • Cat. No. CS-0318113
  • Purity≥97%
  • MDL No.None

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

3-(4-Methoxyphenyl)isoxazol-5(4H)-one|CS-0318113

Structure of 31709-47-4

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General Information

  • CAS No. 31709-47-4
  • Cat. No. CS-0318113
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉NO₃
  • Molecular Weight 191.18
  • Synonym(s) 3-(4-METHOXYPHENYL)-5(4H)-ISOXAZOLONE
  • SMILES COC1=CC=C(C=C1)C2=NOC(=O)C2

Synthesis

  • Route1

    References

    • Kafle, Bhooshan; Aher, Nilkanth G.; Khadka, Deegendra; Park, Hwangseo; Cho, Hyeongjin Chemistry - An Asian Journal, 2011 , vol. 6, # 8 p. 2073 - 2079
  • Route2
    • null|null
      90788-35-5
    • ~74%
    • 3-(4-Methoxyphenyl)isoxazol-5(4H)-one|CS-0318113
      31709-47-4

    References

    • Valduga, Claudete J.; Santis, Denise B.; Braibante, Hugo S.; Braibante, Mara E. F. Journal of Heterocyclic Chemistry, 1999 , vol. 36, # 2 p. 505 - 508
  • Route3
    • null|null
      104548-24-5
    • ~61%
    • 3-(4-Methoxyphenyl)isoxazol-5(4H)-one|CS-0318113
      31709-47-4

    References

    • Akhtar, M. Shamim; Seth, M.; Bhaduri, A. P. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1987 , vol. 26, p. 71 - 72

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   47.89
  • LogP   1.3462
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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