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CS-W001157 4
Total: USD 88.00

2-Phenylbenzo[d]oxazole

  • CAS No. 833-50-1

  • Cat. No. CS-0182175
  • Purity≥97%
  • MDL No.MFCD00012183

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

2-Phenylbenzo[d]oxazole|CS-0182175

Structure of 833-50-1

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General Information

  • CAS No. 833-50-1
  • Cat. No. CS-0182175
  • Purity ≥97%
  • MDL No. MFCD00012183
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₉NO
  • Molecular Weight 195.22
  • Synonym(s) 2-Phenylbenzoxazole
  • SMILES C1(C2=CC=CC=C2)=NC3=CC=CC=C3O1

Description

2-Phenylbenzo[d]oxazole is a rigid, electron-deficient heterocycle featuring fused benzene and oxazole rings. This scaffold integrates seamlessly into luminescent materials and pharmaceutical intermediates due to its planar structure and thermal stability under standard conditions.

Application

2-Phenylbenzo[d]oxazole serves as a robust heterocyclic scaffold in medicinal chemistry, enabling the construction of bioactive molecules through established coupling and functionalization protocols. Its planar, electron-deficient structure enhances metabolic stability and provides favorable π-π stacking interactions in target binding. The compound exhibits excellent bench stability, tolerates a range of reaction conditions, and facilitates efficient purification—making it a practical building block for API development and lead optimization campaigns.

Synthesis

  • Route1
    • (E)-2-(Benzylideneamino)phenol|CS-1242349
      1624-53-9
    • ~96%
    • In-stock
      2-Phenylbenzo[d]oxazole|CS-0182175
      833-50-1

    References

    • Yoo, Woo-Jin; Yuan, Hao; Miyamura, Hiroyuki; Kobayashi, Shu Advanced Synthesis and Catalysis, 2011 , vol. 353, # 17 p. 3085 - 3089
  • Route2
    • null|null
      15310-02-8
    • ~98%
    • In-stock
      2-Phenylbenzo[d]oxazole|CS-0182175
      833-50-1

    References

    • Evindar, Ghotas; Batey, Robert A. Journal of Organic Chemistry, 2006 , vol. 71, # 5 p. 1802 - 1808
  • Route3

    References

    • Kangani, Cyrous O.; Kelley, David E.; Day, Billy W. Tetrahedron Letters, 2006 , vol. 47, # 37 p. 6497 - 6499

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.03
  • LogP   3.4948
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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