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CS-W001157 4
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Diisopropyl 3-oxocyclobutane-1,1-dicarboxylate

  • CAS No. 893724-10-2

  • Cat. No. CS-0045548
  • Purity≥97%
  • MDL No.MFCD06742778

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

Diisopropyl 3-oxocyclobutane-1,1-dicarboxylate|CS-0045548

Structure of 893724-10-2

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General Information

  • CAS No. 893724-10-2
  • Cat. No. CS-0045548
  • Purity ≥97%
  • MDL No. MFCD06742778
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₈O₅
  • Molecular Weight 242.27
  • Synonym(s) dipropan-2-yl 3-oxocyclobutane-1,1-dicarboxylate
  • SMILES O=C(C1(C(OC(C)C)=O)CC(C1)=O)OC(C)C

Description

Diisopropyl 3-oxocyclobutane-1,1-dicarboxylate features a sterically hindered cyclobutane core with two ester groups flanking a ketone at C3. This configuration enables selective enolization and facilitates asymmetric transformations in synthetic sequences. The diisopropyl esters enhance solubility in organic solvents while maintaining stability under standard bench conditions.

Application

Diisopropyl 3-oxocyclobutane-1,1-dicarboxylate serves as a versatile synthon in synthetic organic chemistry, enabling efficient construction of cyclobutane-containing scaffolds. Its diketone functionality supports diverse transformations including aldol reactions, Michael additions, and ring-expansion processes. The diisopropyl ester groups enhance solubility and stability, facilitating straightforward purification and handling. This compound functions as a key building block for strained ring systems and bioactive heterocycles in medicinal chemistry research.

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   69.67
  • LogP   1.2389
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   4

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