CAS 1131614-28-2
:Methyl 3-iodo-4-(1-pyrrolidinyl)benzoate
Description:
Methyl 3-iodo-4-(1-pyrrolidinyl)benzoate is an organic compound characterized by its structure, which includes a benzoate moiety substituted with an iodine atom and a pyrrolidine ring. The presence of the iodine atom introduces notable reactivity, making it a potential candidate for various chemical transformations, including nucleophilic substitutions. The pyrrolidine group contributes to the compound's basicity and can influence its interaction with biological systems, potentially enhancing its pharmacological properties. This compound is typically a solid at room temperature and may exhibit moderate solubility in organic solvents, depending on the specific conditions. Its molecular structure suggests potential applications in medicinal chemistry, particularly in the development of new therapeutic agents. Additionally, the compound's properties, such as melting point, boiling point, and spectral characteristics, can be determined through standard analytical techniques like NMR, IR, and mass spectrometry, which are essential for confirming its identity and purity in research and industrial applications.
Formula:C12H14INO2
InChI:InChI=1S/C12H14INO2/c1-16-12(15)9-4-5-11(10(13)8-9)14-6-2-3-7-14/h4-5,8H,2-3,6-7H2,1H3
InChI key:InChIKey=VZYZSXPFBWRZEY-UHFFFAOYSA-N
SMILES:IC1=C(C=CC(C(OC)=O)=C1)N2CCCC2
Synonyms:- Methyl 3-iodo-4-(1-pyrrolidinyl)benzoate
- Benzoic acid, 3-iodo-4-(1-pyrrolidinyl)-, methyl ester
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