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CS-W001157 4
Total: USD 88.00

(4-Methylphenyl)(oxo)acetic acid

  • CAS No. 7163-50-0

  • Cat. No. CS-0213122
  • Purity≥95%
  • MDL No.MFCD00961859

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

(4-Methylphenyl)(oxo)acetic acid|CS-0213122

Structure of 7163-50-0

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General Information

  • CAS No. 7163-50-0
  • Cat. No. CS-0213122
  • Purity ≥95%
  • MDL No. MFCD00961859
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈O₃
  • Molecular Weight 164.16
  • Synonym(s) Para-methylbenzoylformic acid
  • SMILES CC1=CC=C(C=C1)C(=O)C(=O)O

Description

This bench-stable, moisture-tolerant carboxylic acid features a para-methylphenyl group conjugated to a ketone-bearing acetic acid chain. The electron-rich aryl moiety enhances reactivity in coupling processes, while the α-keto functionality enables selective transformations. Ideal for synthesizing bioactive heterocycles and functionalized building blocks under standard conditions.

Synthesis

  • Route1

    References

    • Kiesewetter, Dale O.; Carson, Richard E.; Jagoda, Elaine M.; Endres, Christopher J.; Der, Margaret G.; Herscovitch, Peter; Eckelman, William C. Bioorganic and Medicinal Chemistry, 1997 , vol. 5, # 8 p. 1555 - 1567
  • Route2
    • 4'-Methylacetophenone, ≥95%|CS-1269192
      122-00-9
    • ~47%
    • In-stock
      (4-Methylphenyl)(oxo)acetic acid|CS-0213122
      7163-50-0

    References

    • Liu, Jie; Liu, Qiang; Yi, Hong; Qin, Chu; Bai, Ruopeng; Qi, Xiaotian; Lan, Yu; Lei, Aiwen Angewandte Chemie - International Edition, 2014 , vol. 53, # 2 p. 502 - 506 Angew. Chem., 2014 , vol. 126, # 2 p. 512 - 516,5
  • Route3

    References

    • Lee, Donald G.; Chen, Tao Journal of Organic Chemistry, 1991 , vol. 56, # 18 p. 5341 - 5345

Safety Information

Download SDS
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   54.37
  • LogP   1.26232
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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