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CS-W001157 4
Total: USD 88.00

2-Methylbenzoxazole

  • CAS No. 95-21-6

  • Cat. No. CS-0095153
  • Purity≥96%
  • MDL No.MFCD00005771

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

2-Methylbenzoxazole|CS-0095153

Structure of 95-21-6

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General Information

  • CAS No. 95-21-6
  • Cat. No. CS-0095153
  • Purity ≥96%
  • MDL No. MFCD00005771
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇NO
  • Molecular Weight 133.15
  • Synonym(s) None
  • SMILES CC1=NC2=CC=CC=C2O1

Description

2-Methylbenzoxazole is a heterocyclic compound featuring a benzoxazole core with a methyl substituent at the 2-position. This electron-rich system enhances stability and facilitates functionalization in synthetic transformations. The molecule exhibits favorable solubility in common organic solvents, enabling straightforward incorporation into pharmaceutical intermediates, agrochemicals, and advanced materials. Its robustness under standard bench conditions supports reliable use in process development workflows.

Application

2-Methylbenzoxazole serves as a robust heterocyclic scaffold in medicinal chemistry and materials science, offering enhanced metabolic stability and π-stacking potential. Its methyl group enables direct functionalization via electrophilic substitution or directed ortho-metalation, while the oxazole ring provides excellent bench stability and compatibility with standard coupling reactions. Widely utilized in API development and catalyst design, it functions as a key building block for bioactive molecules and advanced organic semiconductors.

Synthesis

  • Route1
    • 2-Acetamidophenol Paracetamol Impurity|CS-0229713
      614-80-2
    • ~92%
    • In-stock
      2-Methylbenzoxazole|CS-0095153
      95-21-6

    References

    • Journal of Organic Chemistry, , vol. 74, # 9 p. 3286 - 3292
  • Route2
    • 2'-Hydroxyacetophenone Paracetamol Impurity|CS-0228947
      118-93-4
    • ~71%
    • In-stock
      2-Methylbenzoxazole|CS-0095153
      95-21-6
    • null|null
      1196-29-8

    References

    • Tetrahedron Letters, , vol. 52, # 46 p. 6103 - 6107
  • Route3
    • null|null
      1196-29-8
    • ~96%
    • In-stock
      2-Methylbenzoxazole|CS-0095153
      95-21-6

    References

    • Synthetic Communications, , vol. 25, # 21 p. 3315 - 3321

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 1760
Class : 8
Packing Group : Ⅲ
Hazard Statements : H227-H302-H315-H318-H335
Precautionary Statements : P210-P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P370+P378-P403-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.03
  • LogP   2.13622
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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