CAS 188240-68-8

Ethyl 3-bromo-4,5,6,7-tetrahydro-1-isobenzofurancarboxylate

Description:

Ethyl 3-bromo-4,5,6,7-tetrahydro-1-isobenzofurancarboxylate is a chemical compound characterized by its unique structure, which includes a bromine atom and a tetrahydroisobenzofuran moiety. This compound features an ethyl ester functional group, contributing to its reactivity and solubility properties. The presence of the bromine atom suggests potential for electrophilic substitution reactions, making it a useful intermediate in organic synthesis. The tetrahydro structure indicates that it is a saturated cyclic compound, which can influence its physical properties such as boiling point and melting point. Additionally, the isobenzofuran framework may impart specific biological activities, making it of interest in medicinal chemistry. The compound is typically handled with standard safety precautions due to the presence of bromine, which can be hazardous. Overall, Ethyl 3-bromo-4,5,6,7-tetrahydro-1-isobenzofurancarboxylate is a versatile compound with applications in various fields, including pharmaceuticals and organic synthesis.

Formula: C₁₁H₁₃BrO₃

InChI: InChI=1S/C11H13BrO3/c1-2-14-11(13)9-7-5-3-4-6-8(7)10(12)15-9/h2-6H2,1H3

InChI key: InChIKey=XQXYGCKXMKFEPY-UHFFFAOYSA-N

SMILES: C(OCC)(=O)C1=C2C(=C(Br)O1)CCCC2

Synonyms:

• 1-Isobenzofurancarboxylic acid, 3-bromo-4,5,6,7-tetrahydro-, ethyl ester
• Ethyl 3-bromo-4,5,6,7-tetrahydro-1-isobenzofurancarboxylate

Ethyl 3-bromo-4,5,6,7-tetrahydroisobenzofuran-1-carboxylate

CAS: 188240-68-8

Formula: C₁₁H₁₃BrO₃

Molecular weight: 273.1231

Ref: IN-DA002GS4