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CS-W001157 4
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3-(Methylsulfonyl)aniline

  • CAS No. 35216-39-8

  • Cat. No. CS-0097931
  • Purity≥97%
  • MDL No.None

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

3-(Methylsulfonyl)aniline|CS-0097931

Structure of 35216-39-8

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General Information

  • CAS No. 35216-39-8
  • Cat. No. CS-0097931
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₉NO₂S
  • Molecular Weight 171.22
  • Synonym(s) P-Toluene Suphonamide (PTSA)
  • SMILES NC1=CC=CC(S(=O)(C)=O)=C1

Description

3-(Methylsulfonyl)aniline features a sulfonyl group that enhances solubility and metabolic stability, while the aniline moiety provides a reactive site for coupling reactions. This combination enables efficient integration into pharmaceutical intermediates and functional materials under standard conditions.

Application

3-(Methylsulfonyl)aniline serves as a versatile building block in medicinal chemistry, enabling the introduction of a polar, metabolically stable sulfone group at the meta position of an aromatic amine. Its bench-stable nature and compatibility with standard coupling reactions facilitate efficient access to diverse heterocyclic scaffolds and API intermediates. Functions effectively in nucleophilic substitution and transition-metal-catalyzed transformations.

Synthesis

  • Route1

    References

    • Kelley; Linn; Selway Journal of Medicinal Chemistry, 1990 , vol. 33, # 5 p. 1360 - 1363
  • Route2

    References

    • PROSKELIA SAS Patent: WO2007/60026 A1, 2007 ; Location in patent: Page/Page column 49-50 ; WO 2007/060026 A1
  • Route3
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      3937-95-9
    • ~%
    • In-stock
      3-(Methylsulfonyl)aniline|CS-0097931
      35216-39-8

    References

    • Helvetica Chimica Acta, , vol. 64, # 6 p. 1849 - 1853

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   60.16
  • LogP   0.6723
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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