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CS-W001157 4
Total: USD 88.00

2-Ethylbenzo[d]oxazole

  • CAS No. 6797-13-3

  • Cat. No. CS-0062230
  • Molecule weight147.17
  • Purity≥97%
  • MDL No.None

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

2-Ethylbenzo[d]oxazole|CS-0062230

Structure of 6797-13-3

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General Information

  • CAS No. 6797-13-3
  • Cat. No. CS-0062230
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉NO
  • Molecular Weight 147.17
  • Synonym(s) Benzoxazole, 2-ethyl-
  • SMILES O1C(=NC=2C1=CC=CC2)CC

Description

2-Ethylbenzo[d]oxazole is a heterocyclic compound featuring a benzo[d]oxazole core substituted with an ethyl group at the 2-position. This configuration imparts enhanced solubility and thermal stability, enabling seamless integration into synthetic routes for advanced materials and pharmaceutical intermediates. The electron-rich aromatic system facilitates efficient coupling reactions under mild conditions.

Application

2-Ethylbenzo[d]oxazole serves as a robust heterocyclic scaffold in medicinal chemistry, offering enhanced metabolic stability and improved lipophilicity compared to unsubstituted analogs. Its ethyl substitution at the 2-position enhances solubility and facilitates downstream functionalization via electrophilic or transition-metal-catalyzed coupling reactions. The core structure exhibits excellent bench stability, enabling straightforward handling and purification. This compound functions as a key building block for bioactive molecule synthesis, particularly in kinase inhibitor and CNS-targeted drug discovery programs.

Synthesis

  • Route1

    References

    • Madabhushi, Sridhar; Chinthala, Narsaiah; Vangipuram, Venkata Sairam; Godala, Kondal Reddy; Jillella, Raveendra; Mallu, Kishore Kumar Reddy; Beeram, China Ramanaiah Tetrahedron Letters, 2011 , vol. 52, # 46 p. 6103 - 6107
  • Route2
    • N-(2-iodophenyl)propionamide|CS-0367670
      60751-75-9
    • ~34%
    • In-stock
      2-Ethylbenzo[d]oxazole|CS-0062230
      6797-13-3

    References

    • Jadhav, Jagannath; Gaikwad, Vipul; Kurane, Rajanikant; Salunkhe, Rajashri; Rashinkar, Gajanan Tetrahedron, 2013 , vol. 69, # 14 p. 2920 - 2926
  • Route3
    • null|null
      95-55-6
    • null|null
      155164-64-0
    • ~80%
    • In-stock
      2-Ethylbenzo[d]oxazole|CS-0062230
      6797-13-3

    References

    • Sung, Gi Hyeon; Lee, In-Hye; Kim, Bo Ram; Shin, Dong-Soo; Kim, Jeum-Jong; Lee, Sang-Gyeong; Yoon, Yong-Jin Tetrahedron, 2013 , vol. 69, # 17 p. 3530 - 3535

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   2.3902
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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