CAS 125104-36-1

Methyl 2-(chloromethyl)-4-pyridinecarboxylate

Description:

Methyl 2-(chloromethyl)-4-pyridinecarboxylate, with the CAS number 125104-36-1, is an organic compound characterized by its pyridine ring structure, which is a six-membered aromatic ring containing one nitrogen atom. This compound features a chloromethyl group (-CH2Cl) and a methyl ester functional group (-COOCH3) attached to the pyridine ring, contributing to its reactivity and potential applications in organic synthesis. It is typically a colorless to pale yellow liquid or solid, depending on its purity and form. The presence of the chloromethyl group makes it a useful intermediate in the synthesis of various pharmaceuticals and agrochemicals, as it can undergo nucleophilic substitution reactions. Additionally, the methyl ester group can be hydrolyzed to yield the corresponding carboxylic acid, further expanding its utility in chemical reactions. Safety data should be consulted, as the chloromethyl group can pose health hazards, necessitating appropriate handling and storage precautions.

Formula: C₈H₈ClNO₂

InChI: InChI=1S/C8H8ClNO2/c1-12-8(11)6-2-3-10-7(4-6)5-9/h2-4H,5H2,1H3

InChI key: InChIKey=HHNGBEJGNFNNDX-UHFFFAOYSA-N

SMILES: C(OC)(=O)C=1C=C(CCl)N=CC1

Synonyms:

• 2-Chloromethyl-isonicotinic acid methyl ester
• 4-Pyridinecarboxylic acid, 2-(chloromethyl)-, methyl ester
• Methyl 2-(chloromethyl)-4-pyridinecarboxylate
• 2-(Chloromethyl)pyridine-4-carboxylic acid methyl ester