CAS 159847-82-2
:Methyl 3-amino-4-cyanobenzoate
Description:
Methyl 3-amino-4-cyanobenzoate, with the CAS number 159847-82-2, is an organic compound characterized by its aromatic structure, which includes a benzoate moiety substituted with both an amino group and a cyano group. This compound typically appears as a solid or crystalline substance and is soluble in organic solvents. The presence of the amino group imparts basic properties, while the cyano group contributes to its reactivity and potential applications in organic synthesis. Methyl 3-amino-4-cyanobenzoate can be utilized in various chemical reactions, including nucleophilic substitutions and as an intermediate in the synthesis of pharmaceuticals and agrochemicals. Its functional groups also suggest potential for hydrogen bonding and interactions with biological systems, making it of interest in medicinal chemistry. Safety data should be consulted for handling and storage, as with any chemical substance, to ensure proper precautions are taken due to potential toxicity or reactivity.
Formula:C9H8N2O2
InChI:InChI=1S/C9H8N2O2/c1-13-9(12)6-2-3-7(5-10)8(11)4-6/h2-4H,11H2,1H3
InChI key:InChIKey=DTIYYWNOEAWKNZ-UHFFFAOYSA-N
SMILES:C(OC)(=O)C1=CC(N)=C(C#N)C=C1
Synonyms:- Benzoic acid, 3-amino-4-cyano-, methyl ester
- Methyl 3-amino-4-cyanobenzoate
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