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CS-W001157 4
Total: USD 88.00

1,3-Benzoxazol-6-ol

  • CAS No. 106050-81-1

  • Cat. No. CS-W000076
  • Purity≥98%
  • MDL No.MFCD18450414

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

1,3-Benzoxazol-6-ol|CS-W000076

Structure of 106050-81-1

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General Information

  • CAS No. 106050-81-1
  • Cat. No. CS-W000076
  • Purity ≥98%
  • MDL No. MFCD18450414
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅NO₂
  • Molecular Weight None
  • Synonym(s) benzo[d]oxazol-6-ol
  • SMILES OC1=CC2=C(N=CO2)C=C1

Description

1,3-Benzoxazol-6-ol features a fused heterocyclic core with a phenolic hydroxyl group at the 6-position, conferring enhanced solubility and hydrogen-bonding capacity. This scaffold serves as a key pharmacophore in bioactive molecule design, offering stability under standard conditions and compatibility with diverse functionalization strategies.

Application

1,3-Benzoxazol-6-ol serves as a versatile building block in medicinal chemistry, enabling the construction of heterocyclic scaffolds via direct functionalization at the C6 position. Its phenolic hydroxyl group facilitates coupling reactions and derivatization under mild conditions, while the fused benzoxazole core offers enhanced metabolic stability and favorable pharmacophoric properties. The compound exhibits good bench stability and is readily purified by standard chromatographic methods, supporting its utility in iterative synthesis workflows.

Synthesis

  • Route1
    • In-stock
      4-Aminobenzene-1,3-diol hydrochloride|CS-W016131
      34781-86-7
    • null|null
      122-51-0
    • ~%
    • In-stock
      1,3-Benzoxazol-6-ol|CS-W000076
      106050-81-1

    References

    • SYNGENTA LIMITED Patent: WO2004/108694 A1, 2004 ; Location in patent: Page 53-54 ;
  • Route2

    References

    • Pfizer Inc Patent: US6130217 A1, 2000 ; US 6130217 A
  • Route3

    References

    • Cole, Edward R.; Crank, George; Sumantri Australian Journal of Chemistry, 1986 , vol. 39, # 2 p. 295 - 301

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

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Computational Chemistry Data

  • TPSA   46.26
  • LogP   1.5334
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   0

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