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CS-W001157 4
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7-(tert-Butoxy)-7-oxoheptanoic acid

  • CAS No. 1469894-57-2

  • Cat. No. CS-0162434
  • Purity≥97%
  • MDL No.MFCD30720967

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

7-(tert-Butoxy)-7-oxoheptanoic acid|CS-0162434

Structure of 1469894-57-2

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General Information

  • CAS No. 1469894-57-2
  • Cat. No. CS-0162434
  • Purity ≥97%
  • MDL No. MFCD30720967
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₂₀O₄
  • Molecular Weight 216.28
  • Synonym(s) None
  • SMILES O=C(O)CCCCCC(=O)OC(C)(C)C

Description

7-(tert-Butoxy)-7-oxoheptanoic acid features a sterically hindered tert-butoxy group flanking a ketone and carboxylic acid, enabling selective reactivity in synthetic transformations. This bench-stable, moisture-tolerant compound serves as a key building block for cyclic lactones and bioactive intermediates.

Application

7-(tert-Butoxy)-7-oxoheptanoic acid serves as a versatile building block for the synthesis of cyclic ketones and heterocyclic scaffolds via intramolecular aldol condensation. Its stability under standard reaction conditions, combined with the orthogonal cleavage of the tert-butoxy group, facilitates efficient access to functionalized intermediates. The molecule enables controlled construction of carbocyclic and nitrogen-containing ring systems in medicinal chemistry 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   2.3632
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   6

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