CAS 904998-99-8

Propyl 2-amino-4-[4-(1,1-dimethylethyl)phenyl]-3-thiophenecarboxylate

Description:

Propyl 2-amino-4-[4-(1,1-dimethylethyl)phenyl]-3-thiophenecarboxylate, with the CAS number 904998-99-8, is a chemical compound characterized by its complex structure, which includes a thiophene ring, an amino group, and an ester functional group. This compound typically exhibits properties associated with both aromatic and heterocyclic compounds, such as potential biological activity and solubility in organic solvents. The presence of the bulky tert-butyl group enhances its lipophilicity, which may influence its interaction with biological systems. Additionally, the amino group can participate in hydrogen bonding, affecting its reactivity and solubility in polar solvents. The compound may be of interest in medicinal chemistry due to its structural features, which could contribute to pharmacological properties. However, specific data regarding its toxicity, stability, and reactivity would require further investigation through experimental studies. Overall, this compound represents a unique combination of functional groups that may lend itself to various applications in chemical research and development.

Formula: C₁₈H₂₃NO₂S

InChI: InChI=1S/C18H23NO2S/c1-5-10-21-17(20)15-14(11-22-16(15)19)12-6-8-13(9-7-12)18(2,3)4/h6-9,11H,5,10,19H2,1-4H3

InChI key: InChIKey=JSHNTXCYSPCJCF-UHFFFAOYSA-N

SMILES: C(OCCC)(=O)C=1C(=CSC1N)C2=CC=C(C(C)(C)C)C=C2

Synonyms:

• 3-Thiophenecarboxylic acid, 2-amino-4-[4-(1,1-dimethylethyl)phenyl]-, propyl ester
• Propyl 2-amino-4-[4-(1,1-dimethylethyl)phenyl]-3-thiophenecarboxylate