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CS-W001157 4
Total: USD 88.00

Ethyltert-butylacetate

  • CAS No. 5340-78-3

  • Cat. No. CS-0199440
  • Purity≥98%
  • MDL No.MFCD00026911

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

Ethyltert-butylacetate|CS-0199440

Structure of 5340-78-3

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General Information

  • CAS No. 5340-78-3
  • Cat. No. CS-0199440
  • Purity ≥98%
  • MDL No. MFCD00026911
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₆O₂
  • Molecular Weight 144.21
  • Synonym(s) tert-Butylacetic ethyl ester
  • SMILES CCOC(=O)CC(C)(C)C

Description

Ethyltert-butylacetate is a sterically hindered ester featuring a bulky tert-butyl group that imparts enhanced stability and low volatility. This structural feature enables reliable performance in sensitive synthetic transformations, particularly where minimizing side reactions is critical.

Application

Ethyl tert-butylacetate serves as a versatile building block in synthetic organic chemistry, offering enhanced steric bulk and hydrolytic stability. It functions as a protected acetyl equivalent in multistep syntheses, enabling selective alkylation and condensation reactions under mild conditions. The molecule’s bench-stable nature and ease of purification facilitate scalable applications in medicinal chemistry and process development.

Synthesis

  • Route1
    • null|null
      64-17-5
    • null|null
      7065-46-5
    • ~58%
    • In-stock
      Ethyltert-butylacetate|CS-0199440
      5340-78-3

    References

    • Stack, Jeffrey G.; Curran, Dennis P.; Geib, Steven V.; Rebek Jr., Julius; Ballester, Pablo Journal of the American Chemical Society, 1992 , vol. 114, # 18 p. 7007 - 7018
  • Route2
    • null|null
      64-17-5
    • null|null
      1070-83-3
    • ~74%
    • In-stock
      Ethyltert-butylacetate|CS-0199440
      5340-78-3

    References

    • Ayala, Leticia; Lucero, Claudia G.; Antoinette, Jan; Romero; Tabacco, Sarah A.; Woerpel Journal of the American Chemical Society, 2003 , vol. 125, # 50 p. 15521 - 15528
  • Route3
    • null|null
      107-39-1
    • ~%
    • In-stock
      Ethyltert-butylacetate|CS-0199440
      5340-78-3

    References

    • Journal of the American Chemical Society, , vol. 55, p. 4209,4212

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02
Signal Word : Danger
UN#: 3272
Class : 3
Packing Group : Ⅲ
Hazard Statements : H226
Precautionary Statements : P210-P233-P240-P241-P242-P243-P280-P370+P378

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   1.9857
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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