CAS 1249845-38-2

3-(1,1-Dimethylethyl)-1H-pyrazole-4-sulfonyl chloride

Description:

3-(1,1-Dimethylethyl)-1H-pyrazole-4-sulfonyl chloride is a chemical compound characterized by its sulfonyl chloride functional group, which is known for its reactivity and ability to form sulfonamides. This compound features a pyrazole ring, a five-membered aromatic heterocycle containing two nitrogen atoms, contributing to its unique chemical properties. The presence of the tert-butyl group (1,1-dimethylethyl) enhances its steric bulk, which can influence its reactivity and interactions with other molecules. As a sulfonyl chloride, it is typically used as a reagent in organic synthesis, particularly for the introduction of sulfonyl groups into various substrates. The compound is likely to be sensitive to moisture and should be handled under anhydrous conditions to prevent hydrolysis. Its applications may extend to pharmaceuticals and agrochemicals, where sulfonyl groups play a crucial role in biological activity. Safety precautions are essential when working with this compound due to its potential irritant properties and reactivity with nucleophiles.

Formula: C₇H₁₁ClN₂O₂S

InChI: InChI=1S/C7H11ClN2O2S/c1-7(2,3)6-5(4-9-10-6)13(8,11)12/h4H,1-3H3,(H,9,10)

InChI key: InChIKey=ABOMRAOEHFYMJG-UHFFFAOYSA-N

SMILES: C(C)(C)(C)C=1C(S(Cl)(=O)=O)=CNN1

Synonyms:

• 3-(1,1-Dimethylethyl)-1H-pyrazole-4-sulfonyl chloride
• 1H-Pyrazole-4-sulfonyl chloride, 3-(1,1-dimethylethyl)-