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tert-Butyl 8-bromooctanoate

  • CAS No. 77383-17-6

  • Cat. No. CS-0162715
  • Purity≥95%
  • MDL No.MFCD27928608

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

tert-Butyl 8-bromooctanoate|CS-0162715

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General Information

  • CAS No. 77383-17-6
  • Cat. No. CS-0162715
  • Purity ≥95%
  • MDL No. MFCD27928608
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₂₃BrO₂
  • Molecular Weight 279.22
  • Synonym(s) None
  • SMILES O=C(OC(C)(C)C)CCCCCCCBr

Description

tert-Butyl 8-bromooctanoate features a brominated aliphatic chain tethered to a sterically hindered tert-butyl ester, enabling stable incorporation of reactive halogen handles in synthetic workflows. This robust scaffold facilitates efficient cross-coupling and functional group manipulation under standard conditions.

Application

tert-Butyl 8-bromooctanoate serves as a versatile bifunctional building block in synthetic organic chemistry, enabling efficient access to γ- and δ-functionalized carbonyl compounds. The bromide moiety facilitates palladium-catalyzed cross-coupling reactions, while the ester group supports selective reduction or nucleophilic substitution. Its tert-butyl protection offers enhanced bench stability and simplifies purification, making it well-suited for iterative synthesis of complex aliphatic scaffolds and functionalized intermediates.

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

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   4.0636
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   7

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