CAS 1131587-20-6

4-Methylphenyl 2-amino-5-iodobenzoate

Description:

4-Methylphenyl 2-amino-5-iodobenzoate, identified by its CAS number 1131587-20-6, is an organic compound that belongs to the class of benzoate esters. This substance features a benzoate moiety with a methyl group and an amino group positioned on the aromatic ring, as well as an iodine substituent, which contributes to its unique chemical properties. The presence of the amino group suggests potential for hydrogen bonding and reactivity in various chemical reactions, while the iodine atom can enhance the compound's electrophilic character. This compound may exhibit moderate solubility in organic solvents, influenced by its molecular structure and substituents. Additionally, the presence of both electron-donating (methyl and amino) and electron-withdrawing (iodo) groups can affect its reactivity and interaction with other chemical species. Such characteristics make it of interest in synthetic organic chemistry, potentially serving as an intermediate in the synthesis of more complex molecules or in medicinal chemistry for drug development. Safety and handling precautions should be observed due to the presence of iodine and the potential biological activity of the compound.

Formula: C₁₄H₁₂INO₂

InChI: InChI=1S/C14H12INO2/c1-9-2-5-11(6-3-9)18-14(17)12-8-10(15)4-7-13(12)16/h2-8H,16H2,1H3

InChI key: InChIKey=JBQVXJSJCOOCGZ-UHFFFAOYSA-N

SMILES: C(OC1=CC=C(C)C=C1)(=O)C2=C(N)C=CC(I)=C2

Synonyms:

• Benzoic acid, 2-amino-5-iodo-, 4-methylphenyl ester
• 4-Methylphenyl 2-amino-5-iodobenzoate

p-Tolyl 2-amino-5-iodobenzoate

CAS: 1131587-20-6

Formula: C₁₄H₁₂INO₂

Molecular weight: 353.1551

Ref: IN-DA00HCHM