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CS-W001157 4
Total: USD 88.00

4-(2-Methoxy-2-oxoethyl)benzoic acid

  • CAS No. 87524-66-1

  • Cat. No. CS-0105464
  • Purity≥98%
  • MDL No.None

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

4-(2-Methoxy-2-oxoethyl)benzoic acid|CS-0105464

Structure of 87524-66-1

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General Information

  • CAS No. 87524-66-1
  • Cat. No. CS-0105464
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀O₄
  • Molecular Weight 194.18
  • Synonym(s) Benzeneacetic acid, 4-carboxy-, 1-Methyl ester
  • SMILES OC(C1=CC=C(CC(OC)=O)C=C1)=O

Description

4-(2-Methoxy-2-oxoethyl)benzoic acid features a para-substituted benzoic acid core with a methoxyketone side chain, offering enhanced solubility and reactivity in synthetic transformations. This functional group combination enables efficient coupling reactions and serves as a key intermediate in pharmaceutical and agrochemical synthesis.

Application

4-(2-Methoxy-2-oxoethyl)benzoic acid serves as a versatile building block for medicinal chemistry and materials synthesis, enabling efficient access to substituted benzoic acid derivatives. Its pendant ketone and ester functionalities offer orthogonal reactivity for sequential transformations, while the carboxylic acid group facilitates amide coupling or salt formation. The molecule exhibits good bench stability and is readily purified by recrystallization, supporting its use in multi-step syntheses and API-related scaffold development.

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 : H317-H319
Precautionary Statements : P261-P264-P272-P280-P302+P352-P362+P364-P501

Quality Control

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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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