CAS 1225218-94-9

1,1-Dimethylethyl 3-(2-bromoacetyl)-1-pyrrolidinecarboxylate

Description:

1,1-Dimethylethyl 3-(2-bromoacetyl)-1-pyrrolidinecarboxylate, identified by its CAS number 1225218-94-9, is a chemical compound that features a pyrrolidine ring, which is a five-membered nitrogen-containing heterocycle. This compound is characterized by the presence of a bromoacetyl group, which introduces a halogen and an acyl moiety, potentially enhancing its reactivity and making it useful in various synthetic applications. The dimethyl substituents on the ethyl group contribute to steric hindrance, which can influence the compound's reactivity and interaction with other molecules. The ester functional group in the structure suggests that it may undergo hydrolysis or transesterification reactions under appropriate conditions. This compound may be of interest in medicinal chemistry and organic synthesis, particularly in the development of pharmaceuticals or agrochemicals. As with many organic compounds, its physical properties such as solubility, boiling point, and melting point would depend on the specific conditions and purity of the sample. Safety data should be consulted for handling and storage due to the presence of the bromine atom, which can pose health and environmental risks.

Formula: C₁₁H₁₈BrNO₃

InChI: InChI=1S/C11H18BrNO3/c1-11(2,3)16-10(15)13-5-4-8(7-13)9(14)6-12/h8H,4-7H2,1-3H3

InChI key: InChIKey=CSIKGZJXGIQELU-UHFFFAOYSA-N

SMILES: C(OC(C)(C)C)(=O)N1CC(C(CBr)=O)CC1

Synonyms:

• tert-Butyl 3-(bromoacetyl)pyrrolidine-1-carboxylate
• 1,1-Dimethylethyl 3-(2-bromoacetyl)-1-pyrrolidinecarboxylate
• 1-Pyrrolidinecarboxylic acid, 3-(2-bromoacetyl)-, 1,1-dimethylethyl ester