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CAS 159847-83-3

:

Benzoic acid, 2-amino-4-cyano-, methyl ester

Description:
Benzoic acid, 2-amino-4-cyano-, methyl ester, also known by its CAS number 159847-83-3, is an organic compound characterized by the presence of a benzoic acid moiety with an amino group and a cyano group at specific positions on the aromatic ring. This compound typically appears as a crystalline solid and is soluble in organic solvents, reflecting its polar functional groups. The presence of the amino group suggests potential basicity, while the cyano group contributes to its reactivity and ability to participate in nucleophilic addition reactions. The methyl ester functionality indicates that it can undergo hydrolysis to yield benzoic acid and methanol. This compound may be of interest in various fields, including pharmaceuticals and organic synthesis, due to its potential as an intermediate in the production of more complex molecules. Its chemical properties, such as melting point, boiling point, and reactivity, can vary based on environmental conditions and the presence of other functional groups in a reaction mixture.
Formula:C9H8N2O2
InChI:InChI=1S/C9H8N2O2/c1-13-9(12)7-3-2-6(5-10)4-8(7)11/h2-4H,11H2,1H3
InChI key:InChIKey=VCYAYJCEAKQYAM-UHFFFAOYSA-N
SMILES:C(OC)(=O)C1=C(N)C=C(C#N)C=C1
Synonyms:
  • 2-Amino-4-cyanobenzoic acid methyl ester
  • Methyl 2-Amino-4-Cyanobenzoate
  • Benzoic acid, 2-amino-4-cyano-, methyl ester
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