CAS 76196-68-4

2-Pyrimidinecarboxylic acid, 5-(bromomethyl)-, methyl ester

Description:

2-Pyrimidinecarboxylic acid, 5-(bromomethyl)-, methyl ester, identified by CAS number 76196-68-4, is an organic compound characterized by its pyrimidine ring structure, which is a six-membered aromatic heterocycle containing two nitrogen atoms at positions 1 and 3. This compound features a carboxylic acid functional group and a methyl ester group, contributing to its reactivity and solubility properties. The presence of the bromomethyl substituent at the 5-position enhances its electrophilic character, making it a potential intermediate in various synthetic pathways, particularly in the development of pharmaceuticals and agrochemicals. The compound is likely to exhibit moderate polarity due to the ester and carboxylic acid functionalities, influencing its solubility in polar solvents. Additionally, it may participate in hydrogen bonding due to the carboxylic acid group, affecting its physical properties such as boiling and melting points. Overall, this compound's unique structure and functional groups make it a valuable building block in organic synthesis.

Formula: C₇H₇BrN₂O₂

InChI: InChI=1S/C7H7BrN2O2/c1-12-7(11)6-9-3-5(2-8)4-10-6/h3-4H,2H2,1H3

InChI key: InChIKey=DIEUUFGWUSTOIW-UHFFFAOYSA-N

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

Synonyms:

• 5-(Bromomethyl)pyrimidine-2-carboxylic acid methyl ester
• 2-Pyrimidinecarboxylic acid, 5-(bromomethyl)-, methyl ester
• Methyl 2-(bromomethyl)pyrimidine-5-carboxylate
• Methyl 5-(bromomethyl)-2-pyrimidinecarboxylate

Methyl 2-(Bromomethyl)pyrimidine-5-carboxylate

Controlled Product

CAS: 76196-68-4

Formula: C₇H₇BrN₂O₂

Color and Shape: Neat

Molecular weight: 231.05

Ref: TR-M240410