CAS 72965-17-4

Ethyl 4,5-dimethyl-2-[(1-oxopropyl)amino]-3-thiophenecarboxylate

Description:

Ethyl 4,5-dimethyl-2-[(1-oxopropyl)amino]-3-thiophenecarboxylate, with the CAS number 72965-17-4, is a chemical compound that features a thiophene ring, which is a five-membered aromatic heterocycle containing sulfur. This compound is characterized by the presence of an ethyl ester functional group, a dimethyl substitution on the thiophene ring, and an amine group linked to a propanoyl moiety. The structure suggests potential biological activity, as thiophene derivatives are often explored for their pharmacological properties. The compound is likely to be a solid or liquid at room temperature, depending on its specific molecular interactions. Its solubility in organic solvents is expected, while its solubility in water may be limited due to the hydrophobic nature of the thiophene ring. The presence of the ester and amine functional groups may contribute to its reactivity, making it a candidate for further chemical transformations or applications in medicinal chemistry. Safety data and handling precautions should be consulted, as with any chemical substance, to ensure proper laboratory practices.

Formula: C₁₂H₁₇NO₃S

InChI: InChI=1S/C12H17NO3S/c1-5-9(14)13-11-10(12(15)16-6-2)7(3)8(4)17-11/h5-6H2,1-4H3,(H,13,14)

InChI key: InChIKey=INSOSFIPBXUQRU-UHFFFAOYSA-N

SMILES: N(C(CC)=O)C1=C(C(OCC)=O)C(C)=C(C)S1

Synonyms:

• Ethyl 4,5-dimethyl-2-[(1-oxopropyl)amino]-3-thiophenecarboxylate
• 3-Thiophenecarboxylic acid, 4,5-dimethyl-2-[(1-oxopropyl)amino]-, ethyl ester