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CS-W001157 4
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1,3,5-Trimethyl-1H-pyrazole-4-sulfonyl chloride

  • CAS No. 59340-27-1

  • Cat. No. CS-0071734
  • Purity≥98%
  • MDL No.None

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

1,3,5-Trimethyl-1H-pyrazole-4-sulfonyl chloride|CS-0071734

Structure of 59340-27-1

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General Information

  • CAS No. 59340-27-1
  • Cat. No. CS-0071734
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₉ClN₂O₂S
  • Molecular Weight 208.67
  • Synonym(s) 1,3,5-trimethylpyrazole-4-sulfonyl chloride
  • SMILES O=S(C(C(C)=N1)=C(C)N1C)(Cl)=O

Description

1,3,5-Trimethyl-1H-pyrazole-4-sulfonyl chloride features a sterically hindered pyrazole core with a reactive sulfonyl chloride group, enabling efficient coupling in synthetic transformations. The trimethyl substitution enhances solubility and stability under standard conditions, facilitating its use in building complex heterocyclic architectures.

Application

1,3,5-Trimethyl-1H-pyrazole-4-sulfonyl chloride serves as a versatile sulfonyl chloride building block for constructing sulfonamide-containing scaffolds. Its pyrazole core offers enhanced stability and favorable solubility in organic media, while the trimethyl substitution pattern improves steric shielding and reduces undesired side reactivity. The reagent readily reacts with amines to form stable sulfonamides under mild conditions, enabling efficient functionalization in medicinal chemistry and process development 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-P303+P361+P353-P304+P340-P305+P351+P338-P363-P405-P501

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Computational Chemistry Data

  • TPSA   51.96
  • LogP   0.96444
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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