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CS-W001157 4
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1-Methyl-1H-pyrazole-3-sulfonyl chloride

  • CAS No. 89501-90-6

  • Cat. No. CS-W008868
  • Molecule weight180.61
  • Purity≥98%
  • MDL No.MFCD08690273

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

1-Methyl-1H-pyrazole-3-sulfonyl chloride|CS-W008868

Structure of 89501-90-6

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General Information

  • CAS No. 89501-90-6
  • Cat. No. CS-W008868
  • Purity ≥98%
  • MDL No. MFCD08690273
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₅ClN₂O₂S
  • Molecular Weight 180.61
  • Synonym(s) 1-Methylpyrazole-3-sulfonyl chloride; 1H-pyrazole-3-sulfonyl chloride, 1-methyl-
  • SMILES O=S(C1=NN(C)C=C1)(Cl)=O

Description

1-Methyl-1H-pyrazole-3-sulfonyl chloride features a reactive sulfonyl chloride group flanked by a methyl-substituted pyrazole ring, enabling direct functionalization in heterocyclic synthesis. This bench-stable reagent integrates efficiently into pharmaceutical and agrochemical scaffolds, offering high selectivity in nucleophilic substitution reactions under mild conditions.

Application

1-Methyl-1H-pyrazole-3-sulfonyl chloride serves as a versatile sulfonylating agent for the efficient introduction of the 1-methyl-1H-pyrazol-3-ylsulfonyl group into diverse substrates. Its reactivity enables straightforward functionalization of nucleophiles such as amines and alcohols, facilitating access to sulfonamide and sulfonate derivatives with high yield and purity. The compound exhibits good bench stability and ease of handling, making it suitable for scalable synthesis and integration into standard medicinal chemistry workflows.

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-P264-P280-P301+P330+P331-P304+P340-P363-P405-P501

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Computational Chemistry Data

  • TPSA   51.96
  • LogP   0.3476
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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