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CS-W001157 4
Total: USD 88.00

2-Amino-4-(methylsulfonyl)benzoic acid

  • CAS No. 393085-45-5

  • Cat. No. CS-0150148
  • Purity≥98%
  • MDL No.MFCD04037927

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

2-Amino-4-(methylsulfonyl)benzoic acid|CS-0150148

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General Information

  • CAS No. 393085-45-5
  • Cat. No. CS-0150148
  • Purity ≥98%
  • MDL No. MFCD04037927
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₉NO₄S
  • Molecular Weight 215.22
  • Synonym(s) None
  • SMILES O=C(O)C1=CC=C(C=C1N)S(=O)(=O)C

Application

2-Amino-4-(methylsulfonyl)benzoic acid serves as a versatile building block in medicinal chemistry, enabling the synthesis of bioactive heterocycles and pharmaceutical intermediates. Its orthogonal functionality—combining a primary amine and a carboxylic acid with a sulfonamide-directing methylsulfonyl group—facilitates efficient coupling reactions, cyclizations, and derivatization under standard conditions. The compound exhibits good bench stability and facilitates straightforward purification, making it well-suited for scalable synthetic workflows and structure-activity studies.

Synthesis

  • Route1

    References

    • Katz et al. Journal of Organic Chemistry, 1953 , vol. 18, p. 1380,1400
  • Route2

    References

    • Katz et al. Journal of Organic Chemistry, 1953 , vol. 18, p. 1380,1400
  • Route3

    References

    • Katz et al. Journal of Organic Chemistry, 1953 , vol. 18, p. 1380,1400

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+H312+H332-H315-H319-H335-H412
Precautionary Statements : P261-P264-P270-P271-P273-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   97.46
  • LogP   0.3705
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   2

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