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CS-W001157 4
Total: USD 88.00

2-Bromo-1-(3-phenylisoxazol-5-yl)ethan-1-one

  • CAS No. 14731-14-7

  • Cat. No. CS-0313069
  • Purity≥95%
  • MDL No.None

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

2-Bromo-1-(3-phenylisoxazol-5-yl)ethan-1-one|CS-0313069

Structure of 14731-14-7

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General Information

  • CAS No. 14731-14-7
  • Cat. No. CS-0313069
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₈BrNO₂
  • Molecular Weight 266.09
  • Synonym(s) 5-(Bromoacetyl)-3-phenylisoxazole
  • SMILES C1=CC=C(C=C1)C2=NOC(=C2)C(=O)CBr

Synthesis

  • Route1
    • 1-(3-Phenyl-1,2-oxazol-5-yl)ethan-1-one|CS-0215451
      2048-69-3
    • ~88%
    • 2-Bromo-1-(3-phenylisoxazol-5-yl)ethan-1-one|CS-0313069
      14731-14-7

    References

    • Chiarino; Grancini; Frigeni; Biasini; Carenzi Journal of Medicinal Chemistry, 1991 , vol. 34, # 2 p. 600 - 605
  • Route2
    • 1-(3-Phenyl-4,5-dihydroisoxazol-5-yl)ethan-1-one|CS-1675353
      54606-00-7
    • ~%
    • 2-Bromo-1-(3-phenylisoxazol-5-yl)ethan-1-one|CS-0313069
      14731-14-7

    References

    • Bioorganic and Medicinal Chemistry, , vol. 7, # 11 p. 2607 - 2613
  • Route3
    • 1-(3-Phenyl-1,2-oxazol-5-yl)ethanol|CS-0036876
      14776-02-4
    • ~%
    • 2-Bromo-1-(3-phenylisoxazol-5-yl)ethan-1-one|CS-0313069
      14731-14-7

    References

    • Medicinal Chemistry Research, , vol. 10, # 2 p. 69 - 80

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H314
Precautionary Statements : P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P363-P405-P501

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Computational Chemistry Data

  • TPSA   43.1
  • LogP   2.9192
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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