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3-Methyl-5-phenylisoxazole

  • CAS No. 1008-75-9

  • Cat. No. CS-0034618
  • Purity≥98%
  • MDL No.MFCD00020810

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

3-Methyl-5-phenylisoxazole|CS-0034618

Structure of 1008-75-9

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General Information

  • CAS No. 1008-75-9
  • Cat. No. CS-0034618
  • Purity ≥98%
  • MDL No. MFCD00020810
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉NO
  • Molecular Weight 159.18
  • Synonym(s) NSC 80670; Isoxazole, 3-methyl-5-phenyl- (6CI,7CI,8CI,9CI)
  • SMILES CC1=NOC(C2=CC=CC=C2)=C1

Description

3-Methyl-5-phenylisoxazole is a stable, bench-ready heterocyclic scaffold featuring a fused five-membered ring with a methyl group at the 3-position and a phenyl substituent at the 5-position. This electron-deficient isoxazole integrates readily into synthetic routes requiring rigid, planar motifs. Its solubility in common organic solvents supports straightforward handling in process development workflows.

Synthesis

  • Route1

    References

    • Journal of Chemical Research, Miniprint, , # 4 p. 1101 - 1127
  • Route2
    • null|null
      79-24-3
    • null|null
      536-74-3
    • ~99%
    • In-stock
      3-Methyl-5-phenylisoxazole|CS-0034618
      1008-75-9

    References

    • Tetrahedron, , vol. 59, # 29 p. 5437 - 5440
  • Route3
    • (E)-3-(dimethylamino)-1-phenylbut-2-en-1-one|CS-0516212
      34523-87-0
    • ~%
    • In-stock
      3-Methyl-5-phenylisoxazole|CS-0034618
      1008-75-9

    References

    • Molecules, , vol. 18, # 11 p. 13645 - 13653

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

Quality Control

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Computational Chemistry Data

  • TPSA   26.03
  • LogP   2.65002
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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