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CS-W001157 4
Total: USD 88.00

1-(3-methylisoxazol-5-yl)ethan-1-one

  • CAS No. 55086-61-8

  • Cat. No. CS-0005606
  • Purity≥98%
  • MDL No.MFCD09743868

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

1-(3-methylisoxazol-5-yl)ethan-1-one|CS-0005606

Structure of 55086-61-8

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General Information

  • CAS No. 55086-61-8
  • Cat. No. CS-0005606
  • Purity ≥98%
  • MDL No. MFCD09743868
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₇NO₂
  • Molecular Weight 125.13
  • Synonym(s) 1-(3-Methylisoxazol-5-yl)ethanone
  • SMILES CC(C1=CC(C)=NO1)=O

Synthesis

  • Route1
    • 1-(3-Methyl-1,2-oxazol-5-yl)ethan-1-ol|CS-0250900
      71502-43-7
    • ~60%
    • 1-(3-methylisoxazol-5-yl)ethan-1-one|CS-0005606
      55086-61-8

    References

    • Felman; Jirkovsky; Memoli; Borella; Wells; Russell; Ward Journal of Medicinal Chemistry, 1992 , vol. 35, # 7 p. 1183 - 1190
  • Route2
    • null|null
      17492-61-4
    • ~74%
    • 1-(3-methylisoxazol-5-yl)ethan-1-one|CS-0005606
      55086-61-8

    References

    • Chimichi; Cosimelli Synthetic Communications, 1992 , vol. 22, # 20 p. 2909 - 2920
  • Route3
    • null|null
      683-58-9
    • null|null
      1423-60-5
    • ~55%
    • 1-(3-methylisoxazol-5-yl)ethan-1-one|CS-0005606
      55086-61-8

    References

    • Amici, Marco De; Micheli, Carlo De; Carrea, Giacomo; Spezia, Sandro Journal of Organic Chemistry, 1989 , vol. 54, # 11 p. 2646 - 2650

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   43.1
  • LogP   1.18562
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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