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CS-W001157 4
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5-Fluoro-2-methylbenzo[d]oxazole

  • CAS No. 701-16-6

  • Cat. No. CS-0043986
  • Purity≥98%
  • MDL No.MFCD02093471

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

5-Fluoro-2-methylbenzo[d]oxazole|CS-0043986

Structure of 701-16-6

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General Information

  • CAS No. 701-16-6
  • Cat. No. CS-0043986
  • Purity ≥98%
  • MDL No. MFCD02093471
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆FNO
  • Molecular Weight 151.14
  • Synonym(s) 5-Fluoro-2-methylbenzoxazole
  • SMILES CC1=NC2=CC(F)=CC=C2O1

Description

5-Fluoro-2-methylbenzo[d]oxazole features a fused bicyclic core with orthogonal electron-withdrawing fluorine and electron-donating methyl substituents, enabling tunable electronic properties. This structural motif enhances stability and facilitates incorporation into pharmaceutical scaffolds and functional materials.

Application

5-Fluoro-2-methylbenzo[d]oxazole serves as a versatile heterocyclic building block in medicinal chemistry, enabling efficient access to bioactive scaffolds. Its ortho-fluorinated aryl ring facilitates directed metalation and electrophilic substitution, while the methyl group enhances metabolic stability. The fused oxazole core provides robustness under standard reaction conditions and supports functionalization via palladium-catalyzed cross-coupling. This compound functions effectively in the synthesis of kinase inhibitors and CNS-targeted molecules, offering high bench stability and ease of purification.

Synthesis

  • Route1
    • In-stock
      2-Amino-4-fluorophenol|CS-W007691
      399-97-3
    • null|null
      78-39-7
    • ~85%
    • In-stock
      5-Fluoro-2-methylbenzo[d]oxazole|CS-0043986
      701-16-6

    References

    • GE HEALTHCARE UK LIMITED Patent: WO2008/40994 A2, 2008 ; Location in patent: Page/Page column 25 ;
  • Route2

    References

    • International Journal of Mass Spectrometry, , vol. 345-347, p. 120 - 131
  • Route3

    References

    • International Journal of Mass Spectrometry, , vol. 345-347, p. 120 - 131

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

Quality Control

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Computational Chemistry Data

  • TPSA   26.03
  • LogP   2.27532
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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