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CAS 3435-24-3

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4-Chloro-6-(1,1-dimethylethyl)pyrimidine

Description:
4-Chloro-6-(1,1-dimethylethyl)pyrimidine is a heterocyclic organic compound characterized by a pyrimidine ring substituted with a chlorine atom and a tert-butyl group. The presence of the chlorine atom at the 4-position and the bulky tert-butyl group at the 6-position significantly influences its chemical properties, including its reactivity and solubility. This compound is typically a solid at room temperature and is known for its role in various chemical syntheses, particularly in the pharmaceutical and agrochemical industries. It may exhibit moderate to low solubility in water but is generally soluble in organic solvents. The tert-butyl group contributes to steric hindrance, which can affect the compound's interactions with biological targets. Additionally, 4-Chloro-6-(1,1-dimethylethyl)pyrimidine can participate in nucleophilic substitution reactions due to the presence of the chlorine atom, making it a valuable intermediate in the synthesis of more complex molecules. Safety data should be consulted for handling and storage, as with all chemical substances.
Formula:C8H11ClN2
InChI:InChI=1S/C8H11ClN2/c1-8(2,3)6-4-7(9)11-5-10-6/h4-5H,1-3H3
InChI key:InChIKey=ILJAKOSYYVOLQH-UHFFFAOYSA-N
SMILES:C(C)(C)(C)C=1C=C(Cl)N=CN1
Synonyms:
  • 4-Chloro-6-tert-butylpyrimidine
  • Pyrimidine, 4-tert-butyl-6-chloro-
  • 4-Chloro-6-(1,1-dimethylethyl)pyrimidine
  • Pyrimidine, 4-chloro-6-(1,1-dimethylethyl)-
  • 4-tert-Butyl-6-chloropyrimidine
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