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CS-W001157 4
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Methyl 3-oxocyclohexane-1-carboxylate

  • CAS No. 13148-83-9

  • Cat. No. CS-0055069
  • Molecule weightNone
  • Purity≥95%
  • MDL No.MFCD09031996

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

Methyl 3-oxocyclohexane-1-carboxylate|CS-0055069

Structure of 13148-83-9

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General Information

  • CAS No. 13148-83-9
  • Cat. No. CS-0055069
  • Purity ≥95%
  • MDL No. MFCD09031996
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₂O₃
  • Molecular Weight None
  • Synonym(s) Methyl 3-oxocyclohexanecarboxylate
  • SMILES O=C(C1CC(CCC1)=O)OC

Description

Methyl 3-oxocyclohexane-1-carboxylate features a cyclohexanone ring with a strategically positioned ester group, enabling direct functionalization at the enolizable α-position. This bench-stable ketone ester integrates readily into synthetic sequences requiring controlled electrophilic or nucleophilic transformations, particularly in asymmetric synthesis and natural product derivatization workflows.

Application

Methyl 3-oxocyclohexane-1-carboxylate serves as a versatile building block in synthetic organic chemistry, enabling efficient construction of cyclohexane-based scaffolds. Its 1,3-dicarbonyl arrangement facilitates enolization and subsequent functionalization, supporting aldol reactions, Michael additions, and cyclizations. The compound exhibits excellent bench stability and is compatible with a broad range of reaction conditions, simplifying purification and scale-up in medicinal chemistry and process development workflows.

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   0.9187
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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