CAS 944901-41-1

4-(Chloromethyl)-2-(1-methylethyl)pyrimidine

Description:

4-(Chloromethyl)-2-(1-methylethyl)pyrimidine is a chemical compound characterized by its pyrimidine ring structure, which is a six-membered aromatic heterocycle containing two nitrogen atoms at positions 1 and 3. The presence of a chloromethyl group at the 4-position and an isopropyl group at the 2-position contributes to its unique reactivity and potential applications in organic synthesis. This compound is typically a colorless to pale yellow liquid or solid, depending on its purity and specific conditions. It is soluble in organic solvents, which makes it useful in various chemical reactions, particularly in the synthesis of pharmaceuticals and agrochemicals. The chloromethyl group can serve as a reactive site for nucleophilic substitution reactions, while the isopropyl group may influence the compound's steric and electronic properties. Safety precautions should be taken when handling this substance, as it may pose health risks due to its chlorinated nature and potential reactivity.

Formula: C₈H₁₁ClN₂

InChI: InChI=1S/C8H11ClN2/c1-6(2)8-10-4-3-7(5-9)11-8/h3-4,6H,5H2,1-2H3

InChI key: InChIKey=LAENIQWRTBCLNJ-UHFFFAOYSA-N

SMILES: C(C)(C)C=1N=C(CCl)C=CN1

Synonyms:

• Pyrimidine, 4-(chloromethyl)-2-(1-methylethyl)-
• 4-(Chloromethyl)-2-(1-methylethyl)pyrimidine