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CS-W001157 4
Total: USD 88.00

2-(2,4-Dimethylphenyl)acetic acid

  • CAS No. 6331-04-0

  • Cat. No. CS-W017907
  • Purity≥96%
  • MDL No.None

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

2-(2,4-Dimethylphenyl)acetic acid|CS-W017907

Structure of 6331-04-0

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General Information

  • CAS No. 6331-04-0
  • Cat. No. CS-W017907
  • Purity ≥96%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₂O₂
  • Molecular Weight 164.20
  • Synonym(s) 2,4-Dimethylphenylacetic acid
  • SMILES O=C(O)CC1=CC=C(C)C=C1C

Description

2-(2,4-Dimethylphenyl)acetic acid features a benzene ring substituted with methyl groups at the 2- and 4-positions, delivering enhanced electron density and steric bulk. This configuration supports robust integration into pharmaceutical scaffolds and facilitates efficient coupling reactions under standard conditions. The carboxylic acid moiety enables direct derivatization for bioactive molecule synthesis.

Application

2-(2,4-Dimethylphenyl)acetic acid serves as a versatile building block in medicinal chemistry, enabling the synthesis of bioactive molecules through standard functional group transformations. Its aromatic core provides structural rigidity and favorable lipophilicity, while the carboxylic acid functionality facilitates coupling reactions, derivatization, and salt formation. Bench-stable and readily purified by recrystallization, it functions effectively in peptide coupling, esterification, and amide formation workflows common to API development.

Synthesis

  • Route1

    References

    • US2003/195205 A1, ; US 20030195205 A1
  • Route2
    • 2-(2,4-Dimethylphenyl)acetonitrile|CS-0319575
      68429-53-8
    • ~%
    • In-stock
      2-(2,4-Dimethylphenyl)acetic acid|CS-W017907
      6331-04-0

    References

    • Recueil des Travaux Chimiques des Pays-Bas, , vol. 52, p. 584,590
  • Route3
    • 2-(2,4-Dimethylphenyl)acetonitrile|CS-0319575
      68429-53-8
    • ~%
    • In-stock
      2-(2,4-Dimethylphenyl)acetic acid|CS-W017907
      6331-04-0
    • null|null
      103029-23-8

    References

    • Journal of Organic Chemistry, , vol. 24, p. 403

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-H319
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   1.93054
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   2

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