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CS-W001157 4
Total: USD 88.00

3-Cyclopropylprop-2-enoic acid

  • CAS No. 5687-78-5

  • Cat. No. CS-B1741
  • Molecule weight112.13
  • Purity≥95%
  • MDL No.None

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

3-Cyclopropylprop-2-enoic acid|CS-B1741

Structure of 5687-78-5

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General Information

  • CAS No. 5687-78-5
  • Cat. No. CS-B1741
  • Purity ≥95%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₈O₂
  • Molecular Weight 112.13
  • Synonym(s) 2-Propenoic acid, 3-cyclopropyl-
  • SMILES O=C(O)/C=C/C1CC1

Description

3-Cyclopropylprop-2-enoic acid features a conjugated enoic acid scaffold with a cyclopropyl substituent that imparts rigidity and enhanced metabolic stability. This structural motif enables direct incorporation into bioactive molecules, serving as a key building block in medicinal chemistry for targeted molecular design.

Application

3-Cyclopropylprop-2-enoic acid serves as a versatile building block for α,β-unsaturated carboxylic acids, enabling direct incorporation into Michael adducts and heterocyclic scaffolds. Its conjugated enoic structure facilitates efficient Diels-Alder reactions and supports metal-catalyzed cross-couplings. The cyclopropyl group enhances steric definition and metabolic stability, offering synthetic advantages in the development of bioactive molecules. This compound exhibits good bench stability and is readily purified by recrystallization or chromatography.

Safety Information

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GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 3261
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302-H315-H318-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362-P405-P501

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   1.0372
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   2

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