CAS 859162-68-8

2-(Chloromethyl)-4-(1,1-dimethylethyl)pyrimidine

Description:

2-(Chloromethyl)-4-(1,1-dimethylethyl)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 2-position and a tert-butyl group at the 4-position contributes to its unique reactivity and physical properties. This compound is typically a colorless to pale yellow liquid or solid, depending on its form and purity. It is soluble in organic solvents, which makes it useful in various chemical reactions, particularly in the synthesis of more complex organic molecules. The chloromethyl group can serve as a reactive site for nucleophilic substitution reactions, while the bulky tert-butyl group can influence steric hindrance and selectivity in reactions. Due to its structural features, this compound may have applications in pharmaceuticals, agrochemicals, or as an intermediate in organic synthesis. Safety precautions should be taken when handling this compound, as it may pose health risks associated with chlorinated compounds.

Formula: C₉H₁₃ClN₂

InChI: InChI=1S/C9H13ClN2/c1-9(2,3)7-4-5-11-8(6-10)12-7/h4-5H,6H2,1-3H3

InChI key: InChIKey=JGEOXTGHDDVJQR-UHFFFAOYSA-N

SMILES: C(C)(C)(C)C1=NC(CCl)=NC=C1

Synonyms:

• 2-(Chloromethyl)-4-(1,1-dimethylethyl)pyrimidine
• Pyrimidine, 2-(chloromethyl)-4-(1,1-dimethylethyl)-
• 4-tert-Butyl-2-chloromethylpyrimidine