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CS-W001157 4
Total: USD 88.00

2-(Benzo[d]isoxazol-3-yl)ethan-1-ol

  • CAS No. 57148-90-0

  • Cat. No. CS-0453684
  • Molecule weight163.17
  • Purity≥98%
  • MDL No.None

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

2-(Benzo[d]isoxazol-3-yl)ethan-1-ol|CS-0453684

Structure of 57148-90-0

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General Information

  • CAS No. 57148-90-0
  • Cat. No. CS-0453684
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉NO₂
  • Molecular Weight 163.17
  • Synonym(s) 2-(Benzo[D]isoxazol-3-YL)ethanol
  • SMILES C1=CC=C2C(=C1)C(=NO2)CCO

Synthesis

  • Route1

    References

    • ASTRAZENECA AB Patent: WO2007/69986 A1, 2007 ; Location in patent: Page/Page column 99-100 ; WO 2007/069986 A1
  • Route2
    • Methyl 2-(1,2-benzisoxazol-3-yl)acetate|CS-0213434
      59899-89-7
    • ~%
    • 2-(Benzo[d]isoxazol-3-yl)ethan-1-ol|CS-0453684
      57148-90-0

    References

    • Jain, Monish; Kwon, Chul-Hoon Journal of Medicinal Chemistry, 2003 , vol. 46, # 25 p. 5428 - 5436

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

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Computational Chemistry Data

  • TPSA   46.26
  • LogP   1.3626
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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