CAS 904998-66-9

Propyl 2-amino-4-(4-fluorophenyl)-5-methyl-3-thiophenecarboxylate

Description:

Propyl 2-amino-4-(4-fluorophenyl)-5-methyl-3-thiophenecarboxylate is a chemical compound characterized by its complex structure, which includes a thiophene ring, an amino group, and a propyl ester functional group. The presence of the 4-fluorophenyl substituent indicates that it has a fluorine atom attached to a phenyl ring, which can influence its electronic properties and reactivity. This compound is likely to exhibit moderate to high lipophilicity due to the presence of the aromatic and thiophene components, which can affect its solubility in organic solvents. The amino group may impart basic characteristics, allowing for potential interactions with acids or other electrophiles. Additionally, the ester functionality suggests that it could undergo hydrolysis under certain conditions, leading to the release of the corresponding carboxylic acid and alcohol. Overall, this compound may have applications in medicinal chemistry or as a building block in organic synthesis, although specific biological activities would require further investigation.

Formula: C₁₅H₁₆FNO₂S

InChI: InChI=1S/C15H16FNO2S/c1-3-8-19-15(18)13-12(9(2)20-14(13)17)10-4-6-11(16)7-5-10/h4-7H,3,8,17H2,1-2H3

InChI key: InChIKey=FXGXRTHCCVOXTH-UHFFFAOYSA-N

SMILES: C(OCCC)(=O)C=1C(=C(C)SC1N)C2=CC=C(F)C=C2

Synonyms:

• Propyl 2-amino-4-(4-fluorophenyl)-5-methyl-3-thiophenecarboxylate
• 3-Thiophenecarboxylic acid, 2-amino-4-(4-fluorophenyl)-5-methyl-, propyl ester