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CAS 1308319-51-8

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Ethyl 2-amino-4-cyanobenzenebutanoate

Description:
Ethyl 2-amino-4-cyanobenzenebutanoate, identified by its CAS number 1308319-51-8, is a chemical compound that features a complex structure comprising an ethyl ester, an amino group, and a cyano group attached to a benzene ring. This compound is characterized by its potential applications in medicinal chemistry, particularly in the synthesis of pharmaceuticals due to the presence of functional groups that can participate in various chemical reactions. The amino group contributes to its basicity and potential for forming hydrogen bonds, while the cyano group can enhance reactivity and serve as a versatile building block in organic synthesis. Ethyl 2-amino-4-cyanobenzenebutanoate is typically a solid at room temperature and may exhibit moderate solubility in organic solvents. Its properties, such as melting point, boiling point, and reactivity, can vary based on the specific conditions and purity of the sample. As with many organic compounds, safety precautions should be taken when handling this substance, as it may pose health risks if ingested or inhaled.
Formula:C13H16N2O2
InChI:InChI=1S/C13H16N2O2/c1-2-17-13(16)5-3-4-11-7-6-10(9-14)8-12(11)15/h6-8H,2-5,15H2,1H3
InChI key:InChIKey=IKMMJWGYXDEWBO-UHFFFAOYSA-N
SMILES:C(CCC(OCC)=O)C1=C(N)C=C(C#N)C=C1
Synonyms:
  • Ethyl 2-amino-4-cyanobenzenebutanoate
  • Benzenebutanoic acid, 2-amino-4-cyano-, ethyl ester
  • Ethyl 4-(2-Amino-4-cyanophenyl)butanoate
  • 4-(2-Amino-4-cyano-phenyl)-butyric acid ethyl ester
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