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tert-Butyl-hexanedioic acid

  • CAS No. 52221-07-5

  • Cat. No. CS-0130070
  • Purity≥95%
  • MDL No.MFCD24479669

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

tert-Butyl-hexanedioic acid|CS-0130070

Structure of 52221-07-5

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General Information

  • CAS No. 52221-07-5
  • Cat. No. CS-0130070
  • Purity ≥95%
  • MDL No. MFCD24479669
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₈O₄
  • Molecular Weight 202.25
  • Synonym(s) None
  • SMILES O=C(O)CCCCC(=O)OC(C)(C)C

Description

6-(tert-Butoxy)-6-oxohexanoic acid features a sterically hindered tert-butoxy group flanking a β-keto acid moiety, enhancing stability and enabling selective transformations. This bench-stable reagent integrates readily into synthetic sequences requiring controlled enolization or decarboxylation, offering predictable reactivity in complex molecule assembly.

Application

6-(tert-Butoxy)-6-oxohexanoic acid serves as a versatile building block for the synthesis of γ,δ-unsaturated carbonyl systems and cyclic ketones via intramolecular aldol condensation. Its tert-butoxy group provides steric bulk and enhanced bench stability, while the α,β-unsaturated keto-acid functionality enables reliable transformations in multistep syntheses. Functions effectively in standard coupling and cyclization protocols, offering clean purification and predictable reactivity across diverse synthetic workflows.

Safety Information

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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   63.6
  • LogP   1.9731
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   5

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