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CS-W001157 4
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Ethyl 3-oxocyclohexanecarboxylate

  • CAS No. 33668-25-6

  • Cat. No. CS-D0405
  • Purity≥97%
  • MDL No.MFCD00205583

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

Ethyl 3-oxocyclohexanecarboxylate|CS-D0405

Structure of 33668-25-6

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General Information

  • CAS No. 33668-25-6
  • Cat. No. CS-D0405
  • Purity ≥97%
  • MDL No. MFCD00205583
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₄O₃
  • Molecular Weight 170.21
  • Synonym(s) ETHYL 3-OXOCYCLOHEXANE-1-CARBOXYLATE
  • SMILES O=C(C1CC(CCC1)=O)OCC

Description

Ethyl 3-oxocyclohexanecarboxylate features a cyclohexanone ring with a strategically positioned ester and ketone group, enabling efficient Michael additions and aldol condensations. This bifunctional scaffold supports rapid construction of complex carbocycles under mild conditions.

Application

Ethyl 3-oxocyclohexanecarboxylate serves as a versatile building block in synthetic organic chemistry, enabling efficient construction of cyclohexane-based scaffolds. The 1,3-dicarbonyl motif facilitates enolization and subsequent functionalization, supporting aldol reactions, Michael additions, and transition-metal-catalyzed couplings. Its bench-stable nature and compatibility with diverse reaction conditions make it ideal for iterative synthesis workflows in medicinal chemistry and natural product derivatization.

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   43.37
  • LogP   1.3088
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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