CAS 1131614-45-3
:Methyl 4-(1,1-dimethylethoxy)-3-iodobenzoate
Description:
Methyl 4-(1,1-dimethylethoxy)-3-iodobenzoate is an organic compound characterized by its ester functional group, which is derived from benzoic acid. The presence of the iodine atom at the 3-position of the aromatic ring enhances its reactivity, making it a useful intermediate in various chemical syntheses. The 1,1-dimethylethoxy group contributes to the compound's steric bulk, potentially influencing its solubility and reactivity. This compound is typically a solid at room temperature and may exhibit moderate to low solubility in polar solvents due to its hydrophobic aromatic structure. Its molecular structure suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, as well as in materials science. Safety data should be consulted for handling, as iodine-containing compounds can pose health risks. Overall, Methyl 4-(1,1-dimethylethoxy)-3-iodobenzoate is notable for its unique structural features and potential utility in synthetic organic chemistry.
Formula:C12H15IO3
InChI:InChI=1S/C12H15IO3/c1-12(2,3)16-10-6-5-8(7-9(10)13)11(14)15-4/h5-7H,1-4H3
InChI key:InChIKey=CDKXEDRWEGFFRX-UHFFFAOYSA-N
SMILES:O(C(C)(C)C)C1=C(I)C=C(C(OC)=O)C=C1
Synonyms:- Methyl 4-(1,1-dimethylethoxy)-3-iodobenzoate
- Benzoic acid, 4-(1,1-dimethylethoxy)-3-iodo-, methyl ester
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