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CS-W001157 4
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Benzyl 3-oxocyclobutanecarboxylate

  • CAS No. 198995-91-4

  • Cat. No. CS-M3453
  • Purity≥95%
  • MDL No.MFCD11848894

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

Benzyl 3-oxocyclobutanecarboxylate|CS-M3453

Structure of 198995-91-4

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General Information

  • CAS No. 198995-91-4
  • Cat. No. CS-M3453
  • Purity ≥95%
  • MDL No. MFCD11848894
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₂O₃
  • Molecular Weight 204.22
  • Synonym(s) 3-Oxocyclobutanecarboxylic acid benzyl ester; Benzyl 3-oxocyclobutanecarboxylate; Cyclobutanecarboxylic acid, 3-oxo-, phenylmethyl ester
  • SMILES O=C(C1CC(C1)=O)OCC2=CC=CC=C2

Description

Benzyl 3-oxocyclobutanecarboxylate features a strained cyclobutane ring bearing a ketone and ester functionality, enabling direct functionalization at the 3-position. This scaffold integrates readily into complex molecular architectures under mild conditions, offering high reactivity for C–C bond formation and serving as a key building block in synthetic organic chemistry workflows.

Application

Benzyl 3-oxocyclobutanecarboxylate serves as a versatile synthon in organic synthesis, enabling efficient access to functionalized cyclobutane scaffolds. The ketone and ester functionalities exhibit robust compatibility with standard transformations, including enolate chemistry and nucleophilic additions. Its bench-stable nature and straightforward purification support reliable use in multistep sequences, particularly for constructing bioactive heterocycles and cyclic intermediates in medicinal chemistry 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
Precautionary Statements : P264-P270-P280-P302+P352-P330-P362+P364-P501

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Computational Chemistry Data

  • TPSA   43.37
  • LogP   1.7089
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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