CAS 1310404-99-9

Ethyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-thiophenecarboxylate

Description:

Ethyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-thiophenecarboxylate is a chemical compound characterized by its unique structure, which includes a thiophene ring and a dioxaborolane moiety. The presence of the ethyl ester functional group contributes to its reactivity and solubility properties. This compound is likely to exhibit moderate polarity due to the combination of the hydrophobic thiophene ring and the polar dioxaborolane group. The dioxaborolane unit is known for its ability to participate in various chemical reactions, including cross-coupling reactions, making this compound potentially useful in organic synthesis and materials science. Additionally, the tetramethyl substitution on the dioxaborolane enhances its stability and steric hindrance, which can influence its reactivity. Overall, this compound may serve as an important intermediate in the synthesis of more complex organic molecules or materials, particularly in the fields of pharmaceuticals and agrochemicals.

Formula: C₁₃H₁₉BO₄S

InChI: InChI=1S/C13H19BO4S/c1-6-16-11(15)10-9(7-8-19-10)14-17-12(2,3)13(4,5)18-14/h7-8H,6H2,1-5H3

InChI key: InChIKey=KRWRRTFBFRDNCD-UHFFFAOYSA-N

SMILES: C(OCC)(=O)C1=C(B2OC(C)(C)C(C)(C)O2)C=CS1

Synonyms:

• Ethyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-thiophenecarboxylate
• 2-Thiophenecarboxylic acid, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, ethyl ester