CAS 1363404-86-7

Methyl 5-chloro-2-[3-(2H-tetrazol-5-yl)propoxy]benzoate

Description:

Methyl 5-chloro-2-[3-(2H-tetrazol-5-yl)propoxy]benzoate is a chemical compound characterized by its complex structure, which includes a benzoate moiety, a chloro substituent, and a tetrazole group. The presence of the chloro group suggests potential reactivity and influences the compound's physical properties, such as solubility and boiling point. The tetrazole ring is known for its stability and can impart unique biological activities, making this compound of interest in medicinal chemistry. The propoxy chain serves as a linker, enhancing the compound's lipophilicity and potentially affecting its pharmacokinetic properties. Overall, this compound may exhibit interesting interactions with biological targets, making it a candidate for further research in drug development or other applications in the field of organic chemistry. Its specific characteristics, such as melting point, solubility, and reactivity, would require empirical data for precise evaluation.

Formula: C₁₂H₁₃ClN₄O₃

InChI: InChI=1S/C12H13ClN4O3/c1-19-12(18)9-7-8(13)4-5-10(9)20-6-2-3-11-14-16-17-15-11/h4-5,7H,2-3,6H2,1H3,(H,14,15,16,17)

InChI key: InChIKey=INPIAFUTLVVUMC-UHFFFAOYSA-N

SMILES: O(CCCC=1NN=NN1)C2=C(C(OC)=O)C=C(Cl)C=C2

Synonyms:

• Methyl 5-chloro-2-[3-(2H-tetrazol-5-yl)propoxy]benzoate
• Benzoic acid, 5-chloro-2-[3-(2H-tetrazol-5-yl)propoxy]-, methyl ester