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CS-W001157 4
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3-(Methylsulphonyl)benzenesulphonyl chloride

  • CAS No. 5335-40-0

  • Cat. No. CS-W003992
  • Purity≥98%
  • MDL No.MFCD04037968

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

3-(Methylsulphonyl)benzenesulphonyl chloride|CS-W003992

Structure of 5335-40-0

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General Information

  • CAS No. 5335-40-0
  • Cat. No. CS-W003992
  • Purity ≥98%
  • MDL No. MFCD04037968
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₇ClO₄S₂
  • Molecular Weight 254.71
  • Synonym(s) 3-(Methylsulfonyl)benzenesulfonyl chloride
  • SMILES O=S(C1=CC=CC(S(=O)(C)=O)=C1)(Cl)=O

Description

3-(Methylsulphonyl)benzenesulphonyl chloride features a sulfonamide chloride group flanked by an electron-withdrawing methylsulfonyl substituent, enabling selective acylation of nucleophiles under mild conditions. This bench-stable reagent integrates cleanly into synthetic workflows requiring high functional group tolerance and controlled reactivity.

Application

3-(Methylsulphonyl)benzenesulphonyl chloride serves as a versatile sulfonylating agent for the efficient introduction of a bulky, electron-withdrawing sulfonyl group into aromatic and heteroaromatic systems. Its reactivity enables direct functionalization of nucleophiles such as amines and alcohols under mild conditions, offering excellent bench stability and straightforward purification. The molecule functions effectively in the synthesis of sulfonamide-based building blocks and contributes to the construction of pharmaceutically relevant scaffolds through orthogonal transformation pathways.

Synthesis

  • Route1

    References

    • WO2006/101860 A1, ; Page/Page column 130 ;

Safety Information

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GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 3261
Class : 8
Packing Group : Ⅲ
Hazard Statements : H314
Precautionary Statements : P260-P280-P301+P330+P331-P304+P340

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Computational Chemistry Data

  • TPSA   68.28
  • LogP   1.0176
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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