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CS-W001157 4
Total: USD 88.00

12-(tert-Butoxy)-12-oxododecanoic acid

  • CAS No. 234081-98-2

  • Cat. No. CS-0148616
  • Purity≥97%
  • MDL No.MFCD28098251

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

12-(tert-Butoxy)-12-oxododecanoic acid|CS-0148616

Structure of 234081-98-2

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General Information

  • CAS No. 234081-98-2
  • Cat. No. CS-0148616
  • Purity ≥97%
  • MDL No. MFCD28098251
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₃₀O₄
  • Molecular Weight 286.41
  • Synonym(s) None
  • SMILES O=C(O)CCCCCCCCCCC(=O)OC(C)(C)C

Description

This 12-(tert-butoxy)-12-oxododecanoic acid features a sterically hindered tert-butoxy group flanking a ketone at the C12 position, enabling stable incorporation into complex synthetic scaffolds. The carboxylic acid functionality provides a robust handle for derivatization, while the electron-withdrawing carbonyl enhances reactivity in nucleophilic addition processes.

Application

12-(tert-Butoxy)-12-oxododecanoic acid serves as a versatile β-keto ester surrogate, enabling efficient Michael additions and aldol condensations in complex molecule synthesis. Its tert-butoxy carbonyl group provides enhanced stability and facilitates selective deprotonation, while the α,β-unsaturated ketone motif supports reliable conjugate addition reactions. The compound exhibits excellent bench stability and simplifies purification due to its high crystallinity and predictable chromatographic behavior.

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   4.3137
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   11

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