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CS-W001157 4
Total: USD 88.00

4,4-Dimethylcyclopentane-1,3-dione

  • CAS No. 4683-51-6

  • Cat. No. CS-0698099
  • Purity≥98%
  • MDL No.None

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

4,4-Dimethylcyclopentane-1,3-dione|CS-0698099

Structure of 4683-51-6

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General Information

  • CAS No. 4683-51-6
  • Cat. No. CS-0698099
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₀O₂
  • Molecular Weight 126.15
  • Synonym(s) None
  • SMILES CC1(C)CC(=O)CC1=O

Description

This bench-stable diketone features a rigid cyclopentane core with two methyl groups enhancing steric protection and solubility. The 1,3-dione system enables facile enolization and participation in aldol condensations, Michael additions, and transition-metal-catalyzed couplings. Ideal for constructing complex carbocyclic frameworks in synthetic organic chemistry and natural product synthesis.

Application

4,4-Dimethylcyclopentane-1,3-dione serves as a versatile building block in synthetic organic chemistry, enabling efficient access to substituted cyclopentanones and heterocyclic scaffolds. Its diketone functionality supports aldol condensations, Michael additions, and enolate-mediated transformations with high regiocontrol. The geminal dimethyl groups enhance steric shielding and bench stability, facilitating purification and scalability in medicinal chemistry campaigns.

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

Quality Control

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Computational Chemistry Data

  • TPSA   34.14
  • LogP   0.9446
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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