CAS 126230-75-9

5-(Bromomethyl)-2-(1,1-dimethylethyl)pyrimidine

Description:

5-(Bromomethyl)-2-(1,1-dimethylethyl)pyrimidine is a chemical compound characterized by its pyrimidine ring structure, which is a six-membered heterocyclic aromatic ring containing two nitrogen atoms. The presence of a bromomethyl group at the 5-position and a tert-butyl group at the 2-position contributes to its unique reactivity and physical properties. This compound is typically a solid at room temperature and may exhibit moderate solubility in organic solvents. Its bromomethyl group makes it a potential electrophile, allowing for various substitution reactions, while the tert-butyl group can influence steric hindrance and stability. The compound is of interest in organic synthesis and medicinal chemistry, where it may serve as an intermediate in the development of pharmaceuticals or agrochemicals. Safety data should be consulted, as halogenated compounds can pose environmental and health risks. Proper handling and storage conditions are essential to ensure safety during its use in laboratory or industrial settings.

Formula: C₉H₁₃BrN₂

InChI: InChI=1S/C9H13BrN2/c1-9(2,3)8-11-5-7(4-10)6-12-8/h5-6H,4H2,1-3H3

InChI key: InChIKey=XSZMKTJVYYBRHQ-UHFFFAOYSA-N

SMILES: C(C)(C)(C)C=1N=CC(CBr)=CN1

Synonyms:

• Pyrimidine, 5-(bromomethyl)-2-(1,1-dimethylethyl)-
• 5-(Bromomethyl)-2-(1,1-dimethylethyl)pyrimidine

5-(Bromomethyl)-2-tert-butylpyrimidine

CAS: 126230-75-9

Versatile small molecule scaffold

Formula: C₉H₁₃BrN₂

Purity: Min. 95%

Molecular weight: 229.12 g/mol

Ref: 3D-BFA23075