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CS-W001157 4
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2-(3-(Methoxycarbonyl)phenyl)acetic acid

  • CAS No. 52787-19-6

  • Cat. No. CS-0059794
  • Molecule weight194.18
  • Purity≥97%
  • MDL No.MFCD18459189

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

2-(3-(Methoxycarbonyl)phenyl)acetic acid|CS-0059794

Structure of 52787-19-6

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General Information

  • CAS No. 52787-19-6
  • Cat. No. CS-0059794
  • Purity ≥97%
  • MDL No. MFCD18459189
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀O₄
  • Molecular Weight 194.18
  • Synonym(s) None
  • SMILES C(C1=CC(CC(=O)O)=CC=C1)(=O)OC

Description

This acetic acid derivative features a methoxycarbonyl-substituted phenyl ring, enabling direct incorporation into peptide conjugation and bioconjugate workflows. The ortho-carboxylic acid group provides enhanced reactivity for amide bond formation under standard coupling conditions, while the ester moiety offers tunable hydrolytic stability in biological environments.

Application

2-(3-(Methoxycarbonyl)phenyl)acetic acid serves as a versatile building block for constructing biaryl and heterocyclic scaffolds in medicinal chemistry. Its carboxylic acid and ester functionalities enable direct derivatization via amidation, esterification, or decarboxylation protocols. The molecule exhibits good bench stability and facilitates efficient purification by crystallization or column chromatography, making it well-suited for scalable synthesis workflows.

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   63.6
  • LogP   1.1003
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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