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CAS 306936-94-7

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1-(1,1-Dimethylethyl)-5-methyl-1H-pyrazole-3-carbonyl chloride

Description:
1-(1,1-Dimethylethyl)-5-methyl-1H-pyrazole-3-carbonyl chloride, identified by its CAS number 306936-94-7, is a chemical compound characterized by its pyrazole ring structure, which is a five-membered heterocyclic compound containing two nitrogen atoms. This substance features a carbonyl chloride functional group, indicating it is a derivative of an acyl chloride, which is known for its reactivity, particularly in acylation reactions. The presence of the tert-butyl group (1,1-dimethylethyl) and a methyl group on the pyrazole ring contributes to its steric and electronic properties, potentially influencing its reactivity and interactions with other molecules. This compound is typically used in organic synthesis, particularly in the preparation of other chemical entities, and may exhibit biological activity, making it of interest in pharmaceutical research. As with many carbonyl chlorides, it is important to handle this compound with care due to its potential to release hydrochloric acid upon hydrolysis and its reactivity with nucleophiles.
Formula:C9H13ClN2O
InChI:InChI=1S/C9H13ClN2O/c1-6-5-7(8(10)13)11-12(6)9(2,3)4/h5H,1-4H3
InChI key:InChIKey=BUXVJLQSMVDBHC-UHFFFAOYSA-N
SMILES:C(C)(C)(C)N1N=C(C(Cl)=O)C=C1C
Synonyms:
  • 1H-Pyrazole-3-carbonyl chloride, 1-(1,1-dimethylethyl)-5-methyl-
  • 1-(1,1-Dimethylethyl)-5-methyl-1H-pyrazole-3-carbonyl chloride
  • 1-tert-Butyl-5-methyl-1H-pyrazole-3-carbonyl chloride
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