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CS-W001157 4
Total: USD 88.00

Monoethyl 1,1-cyclobutanedicarboxylate

  • CAS No. 54450-84-9

  • Cat. No. CS-M2528
  • Purity≥97%
  • MDL No.MFCD10699115

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

Monoethyl 1,1-cyclobutanedicarboxylate|CS-M2528

Structure of 54450-84-9

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General Information

  • CAS No. 54450-84-9
  • Cat. No. CS-M2528
  • Purity ≥97%
  • MDL No. MFCD10699115
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₂O₄
  • Molecular Weight 172.18
  • Synonym(s) 1-(Ethoxycarbonyl)cyclobutanecarboxylic acid
  • SMILES O=C(O)C1(CCC1)C(OCC)=O

Description

Monoethyl 1,1-cyclobutanedicarboxylate features a rigid cyclobutane core with strategically positioned ester functionalities. This structural motif enables efficient incorporation into synthetic sequences requiring constrained geometries. The molecule exhibits enhanced stability under standard handling conditions and facilitates downstream transformations through its reactive carbonyl groups.

Application

Monoethyl 1,1-cyclobutanedicarboxylate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to functionalized cyclobutane scaffolds. Its well-defined reactivity facilitates selective transformations at the ester and carbonyl sites, supporting applications in medicinal chemistry and natural product synthesis. The molecule exhibits good bench stability and compatibility with standard reaction conditions, simplifying purification and scale-up.

Synthesis

  • Route1
    • null|null
      105-53-3
    • ~%
    • In-stock
      Monoethyl 1,1-cyclobutanedicarboxylate|CS-M2528
      54450-84-9

    References

    • Chemistry - A European Journal, , vol. 18, # 51 p. 16531 - 16539
  • Route2
    • In-stock
      Cyclobutanecarboxylic acid|CS-W011325
      3721-95-7
    • null|null
      541-41-3
    • ~%
    • In-stock
      Monoethyl 1,1-cyclobutanedicarboxylate|CS-M2528
      54450-84-9

    References

    • Tetrahedron Letters, , # 32 p. 2721 - 2723

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   63.6
  • LogP   0.8044
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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