CAS 786728-88-9

2,4-Dimethyl 5-(bromomethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate

Description:

2,4-Dimethyl 5-(bromomethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate is a chemical compound characterized by its complex pyrrole structure, which includes multiple functional groups. This compound features two carboxylate groups, contributing to its potential acidity and reactivity. The presence of bromomethyl and dimethyl substituents indicates that it may exhibit unique reactivity patterns, particularly in nucleophilic substitution reactions. The pyrrole ring itself is known for its aromatic properties, which can influence the compound's stability and electronic characteristics. Additionally, the presence of multiple methyl groups can enhance lipophilicity, potentially affecting its solubility in organic solvents. This compound may be of interest in synthetic organic chemistry, particularly in the development of pharmaceuticals or agrochemicals, due to its structural features that could facilitate further chemical modifications. As with many brominated compounds, it is essential to consider environmental and safety aspects during handling and disposal.

Formula: C₁₀H₁₂BrNO₄

InChI: InChI=1S/C10H12BrNO4/c1-5-7(9(13)15-2)6(4-11)12-8(5)10(14)16-3/h12H,4H2,1-3H3

InChI key: InChIKey=IXXORIZODPYQTB-UHFFFAOYSA-N

SMILES: C(OC)(=O)C1=C(CBr)NC(C(OC)=O)=C1C

Synonyms:

• 1H-Pyrrole-2,4-dicarboxylic acid, 5-(bromomethyl)-3-methyl-, 2,4-dimethyl ester
• 2,4-Dimethyl 5-(bromomethyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate
• 1H-Pyrrole-2,4-dicarboxylic acid, 5-(bromomethyl)-3-methyl-, dimethyl ester