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CAS 159847-80-0

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Methyl 4-amino-3-cyanobenzoate

Description:
Methyl 4-amino-3-cyanobenzoate, also known by its CAS number 159847-80-0, is an organic compound characterized by its aromatic structure, which includes a benzoate moiety substituted with an amino group and a cyano group. This compound typically appears as a solid at room temperature and is soluble in organic solvents. The presence of the amino group (-NH2) contributes to its basicity and potential reactivity, while the cyano group (-CN) introduces a polar character, enhancing its solubility in polar solvents. Methyl 4-amino-3-cyanobenzoate can participate in various chemical reactions, including nucleophilic substitutions and coupling reactions, making it valuable in synthetic organic chemistry. Its derivatives may exhibit biological activity, which can be explored for pharmaceutical applications. Safety data should be consulted for handling and storage, as with any chemical substance, to ensure proper precautions are taken. Overall, this compound serves as an important building block in the synthesis of more complex organic molecules.
Formula:C9H8N2O2
InChI:InChI=1S/C9H8N2O2/c1-13-9(12)6-2-3-8(11)7(4-6)5-10/h2-4H,11H2,1H3
InChI key:InChIKey=QSPXZVQTLYMWEU-UHFFFAOYSA-N
SMILES:C(OC)(=O)C1=CC(C#N)=C(N)C=C1
Synonyms:
  • Benzoic acid, 4-amino-3-cyano-, methyl ester
  • 4-Amino-3-cyanobenzoic acid methyl ester
  • Methyl 4-amino-3-cyanobenzoate
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