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CS-W001157 4
Total: USD 88.00

3-((Methylsulfonyl)methyl)aniline

  • CAS No. 261925-02-4

  • Cat. No. CS-0088052
  • Purity≥97%
  • MDL No.None

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

3-((Methylsulfonyl)methyl)aniline|CS-0088052

Structure of 261925-02-4

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General Information

  • CAS No. 261925-02-4
  • Cat. No. CS-0088052
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₁NO₂S
  • Molecular Weight 185.24
  • Synonym(s) 3-(Methanesulfonylmethyl)aniline
  • SMILES NC1=CC=CC(CS(=O)(C)=O)=C1

Description

3-((Methylsulfonyl)methyl)aniline features a para-substituted aniline scaffold with a robust methylsulfonyl-methyl group, enhancing solubility and metabolic stability. This electron-withdrawing moiety imparts favorable polarity for pharmaceutical intermediates and enables efficient coupling in cross-coupling reactions. The compound exhibits bench-stable handling and compatibility with diverse reaction conditions.

Application

3-((Methylsulfonyl)methyl)aniline serves as a versatile building block in medicinal chemistry, enabling direct introduction of a polar, metabolically stable methylsulfonylmethyl group at the meta position of an aromatic ring. The sulfonamide moiety enhances solubility and modulates electronic properties, while the aniline functionality facilitates downstream coupling reactions. Its bench-stable nature and compatibility with standard functional group transformations make it well-suited for multi-step synthesis of bioactive scaffolds.

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

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Computational Chemistry Data

  • TPSA   60.16
  • LogP   0.8134
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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