CAS 791614-78-3

Ethyl 6-bromo-2-benzothiazoleacetate

Description:

Ethyl 6-bromo-2-benzothiazoleacetate is a chemical compound characterized by its unique structure, which includes a benzothiazole ring and an ethyl ester functional group. This compound typically exhibits a pale yellow to light brown appearance and is soluble in organic solvents such as ethanol and dichloromethane, while being less soluble in water. The presence of the bromine atom enhances its reactivity, making it useful in various synthetic applications, particularly in medicinal chemistry and organic synthesis. Ethyl 6-bromo-2-benzothiazoleacetate may also demonstrate biological activity, potentially serving as a precursor for the development of pharmaceuticals or agrochemicals. Its molecular structure contributes to its properties, including melting and boiling points, which are influenced by intermolecular forces such as van der Waals interactions and dipole-dipole interactions. As with many chemical substances, proper handling and safety precautions are essential due to potential toxicity or reactivity. Always refer to safety data sheets and relevant literature for detailed information regarding its use and handling.

Formula: C₁₁H₁₀BrNO₂S

InChI: InChI=1S/C11H10BrNO2S/c1-2-15-11(14)6-10-13-8-4-3-7(12)5-9(8)16-10/h3-5H,2,6H2,1H3

InChI key: InChIKey=NRVKXPLEMJKYKS-UHFFFAOYSA-N

SMILES: C(C(OCC)=O)C=1SC=2C(N1)=CC=C(Br)C2

Synonyms:

• 6-Bromobenzothiazole-2-acetic acid ethyl ester
• 2-Benzothiazoleacetic acid, 6-bromo-, ethyl ester
• Ethyl 6-bromo-2-benzothiazoleacetate
• (6-Bromobenzothiazol-2-yl)acetic acid ethyl ester