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CS-W001157 4
Total: USD 88.00

1-(Benzo[d]oxazol-2-yl)ethanone

  • CAS No. 122433-29-8

  • Cat. No. CS-W019416
  • Purity≥97%
  • MDL No.MFCD00223823

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

1-(Benzo[d]oxazol-2-yl)ethanone|CS-W019416

Structure of 122433-29-8

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General Information

  • CAS No. 122433-29-8
  • Cat. No. CS-W019416
  • Purity ≥97%
  • MDL No. MFCD00223823
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇NO₂
  • Molecular Weight 161.16
  • Synonym(s) Ethanone, 1-(2-benzoxazolyl)- (9CI)
  • SMILES O1C2=C(N=C1C(C)=O)C=CC=C2

Description

1-(Benzo[d]oxazol-2-yl)ethanone features a rigid benzoxazole core fused to a ketone-functionalized ethyl side chain, enabling direct integration into heterocyclic scaffolds. This bench-stable, moisture-tolerant building block facilitates efficient C–C bond formation and serves as a key intermediate in the synthesis of bioactive compounds.

Application

1-(Benzo[d]oxazol-2-yl)ethanone serves as a versatile building block in medicinal chemistry, enabling direct functionalization at the benzo[d]oxazole core. Its acetyl group facilitates electrophilic substitution and transition-metal-catalyzed coupling reactions, while maintaining stability under standard synthetic conditions. The molecule functions effectively in the synthesis of bioactive heterocycles and provides a robust scaffold for structure-activity studies.

Synthesis

  • Route1
    • Benzo[d]oxazole-2-carbonitrile|CS-0199868
      3313-37-9
    • ~%
    • In-stock
      1-(Benzo[d]oxazol-2-yl)ethanone|CS-W019416
      122433-29-8

    References

    • US4822809 A1, ;
  • Route2

    References

    • Tauer, Erich; Grellmann, Karl-Heinz Chemische Berichte, 1990 , vol. 123, # 5 p. 1149 - 1154
  • Route3
    • null|null
      124855-83-0
    • ~%
    • In-stock
      1-(Benzo[d]oxazol-2-yl)ethanone|CS-W019416
      122433-29-8

    References

    • Chemische Berichte, , vol. 123, # 5 p. 1149 - 1154

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   43.1
  • LogP   2.0304
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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