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CS-W001157 4
Total: USD 88.00

2-(3,4-Dichlorophenyl)acetic acid

  • CAS No. 5807-30-7

  • Cat. No. CS-W020073
  • Purity≥97%
  • MDL No.MFCD00004333

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

2-(3,4-Dichlorophenyl)acetic acid|CS-W020073

Structure of 5807-30-7

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General Information

  • CAS No. 5807-30-7
  • Cat. No. CS-W020073
  • Purity ≥97%
  • MDL No. MFCD00004333
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆Cl₂O₂
  • Molecular Weight 205.04
  • Synonym(s) LABOTEST-BB LT00455049
  • SMILES O=C(O)CC1=CC=C(Cl)C(Cl)=C1

Description

2-(3,4-Dichlorophenyl)acetic acid features a dichlorinated aromatic ring linked to a carboxylic acid-bearing acetic acid side chain. This configuration imparts enhanced lipophilicity and metabolic stability, enabling its use in bioactive molecule synthesis. The compound serves as a key scaffold for pharmaceutical intermediates requiring halogenated phenyl functionality.

Application

2-(3,4-Dichlorophenyl)acetic acid serves as a versatile building block in medicinal chemistry, enabling the synthesis of bioactive compounds through standard carboxylic acid transformations. Its dichlorinated aromatic ring enhances metabolic stability and modulates lipophilicity, while the pendant acetic acid group facilitates derivatization via esterification, amidation, or coupling reactions. Bench-stable and readily purified by recrystallization, it functions reliably in peptide conjugation, heterocycle formation, and API intermediate development.

Synthesis

  • Route1

    References

    • Anderson, Wayne K.; Milowsky, Arnold S. Journal of Medicinal Chemistry, 1986 , vol. 29, # 11 p. 2241 - 2249
  • Route2
    • null|null
      18414-58-9
    • null|null
      18880-04-1
    • ~98%
    • In-stock
      2-(3,4-Dichlorophenyl)acetic acid|CS-W020073
      5807-30-7

    References

    • Friis, Stig D.; Andersen, Thomas L.; Skrydstrup, Troels Organic Letters, 2013 , vol. 15, # 6 p. 1378 - 1381
  • Route3
    • null|null
      201230-82-2
    • null|null
      102-47-6
    • ~90%
    • In-stock
      2-(3,4-Dichlorophenyl)acetic acid|CS-W020073
      5807-30-7

    References

    • Lapidus, Albert L.; Eliseev, Oleg L.; Bondarenko, Tatyana N.; Chau, Nguen H.; Kazantsev, Ruslan V. Mendeleev Communications, 2009 , vol. 19, # 5 p. 256 - 257

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   37.3
  • LogP   2.6205
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   2

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