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CS-W001157 4
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Methyl 4-cyclopropylbenzoate

  • CAS No. 148438-03-3

  • Cat. No. CS-0130039
  • Molecule weight176.21
  • Purity≥98%
  • MDL No.None

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

Methyl 4-cyclopropylbenzoate|CS-0130039

Structure of 148438-03-3

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General Information

  • CAS No. 148438-03-3
  • Cat. No. CS-0130039
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₂O₂
  • Molecular Weight 176.21
  • Synonym(s) Benzoic acid, 4-cyclopropyl-, methyl ester
  • SMILES O=C(OC)C1=CC=C(C2CC2)C=C1

Description

Methyl 4-cyclopropylbenzoate features a cyclopropyl group positioned para to the ester functionality, imparting enhanced lipophilicity and metabolic stability. This structural motif enables efficient integration into bioactive scaffolds and synthetic intermediates requiring rigid, electron-rich aromatic systems under standard conditions.

Application

Methyl 4-cyclopropylbenzoate serves as a versatile synthetic intermediate for the construction of biologically relevant arylcarboxylates and heterocyclic scaffolds. Its cyclopropyl substituent imparts enhanced metabolic stability and modulates lipophilicity, making it valuable in medicinal chemistry campaigns. The ester functionality enables straightforward derivatization via hydrolysis, reduction, or coupling reactions, while the aromatic core supports electrophilic substitution and transition-metal-catalyzed transformations. Bench-stable and readily purified by recrystallization or column chromatography, it functions as a reliable building block in multi-step synthesis.

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   26.3
  • LogP   2.3506
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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