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CS-W001157 4
Total: USD 88.00

2-(4-Methoxyphenyl)-2-oxoacetic acid

  • CAS No. 7099-91-4

  • Cat. No. CS-0262830
  • Purity≥98%
  • MDL No.MFCD00963514

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

2-(4-Methoxyphenyl)-2-oxoacetic acid|CS-0262830

Structure of 7099-91-4

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General Information

  • CAS No. 7099-91-4
  • Cat. No. CS-0262830
  • Purity ≥98%
  • MDL No. MFCD00963514
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈O₄
  • Molecular Weight None
  • Synonym(s) (4-Methoxybenzoyl)formic acid
  • SMILES COC1=CC=C(C=C1)C(=O)C(=O)O

Description

This oxoacetic acid derivative features a para-methoxyphenyl group that enhances solubility and modulates electronic properties. It serves as a key intermediate in synthesizing bioactive heterocycles, particularly in the development of pharmaceutical scaffolds requiring aromatic substitution patterns. The carboxylate functionality enables straightforward derivatization under mild conditions.

Application

2-(4-Methoxyphenyl)-2-oxoacetic acid serves as a versatile building block in synthetic organic chemistry, enabling the construction of biologically relevant heterocycles and functionalized aromatics. Its α-ketoacid functionality facilitates decarboxylative couplings, Michael additions, and condensation reactions with amines or hydrazines. The para-methoxy substituent enhances solubility and modulates electronic properties, while the molecule exhibits bench stability and ease of purification—key advantages for medicinal chemistry campaigns and process-scale 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 : H315-H319
Precautionary Statements : P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362+P364

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Computational Chemistry Data

  • TPSA   63.6
  • LogP   0.9625
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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