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CAS 13369-76-1

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1-allyl-4-bromo-3,5-dimethyl-pyrazole

Description:
1-Allyl-4-bromo-3,5-dimethyl-pyrazole is an organic compound characterized by its pyrazole ring structure, which is a five-membered ring containing two adjacent nitrogen atoms. This compound features an allyl group, which is a three-carbon chain with a double bond, contributing to its reactivity and potential applications in organic synthesis. The presence of bromine at the 4-position of the pyrazole ring introduces a halogen substituent, which can enhance the compound's electrophilic properties and influence its reactivity in various chemical reactions. Additionally, the methyl groups at the 3 and 5 positions provide steric hindrance and can affect the compound's physical properties, such as solubility and boiling point. Overall, 1-allyl-4-bromo-3,5-dimethyl-pyrazole is of interest in medicinal chemistry and materials science due to its unique structural features and potential for further functionalization. Its CAS number, 13369-76-1, allows for easy identification and reference in chemical databases and literature.
Formula:C8H11BrN2
InChI:InChI=1/C8H11BrN2/c1-4-5-11-7(3)8(9)6(2)10-11/h4H,1,5H2,2-3H3
SMILES:C=CCn1c(C)c(c(C)n1)Br
Synonyms:
  • 1H-pyrazole, 4-bromo-3,5-dimethyl-1-(2-propen-1-yl)-
  • 4-bromo-3,5-dimethyl-1-(prop-2-en-1-yl)-1H-pyrazole
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