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CAS 126231-22-9

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5-(1,1-Dimethylethyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxylic acid

Description:
5-(1,1-Dimethylethyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxylic acid is a chemical compound characterized by its unique structure, which includes a benzo[b]thiophene core fused with a tetrahydro configuration and a carboxylic acid functional group. The presence of the tert-butyl group (1,1-dimethylethyl) enhances its hydrophobic properties, influencing its solubility and reactivity. This compound is typically used in organic synthesis and may serve as an intermediate in the production of pharmaceuticals or agrochemicals. Its carboxylic acid group can participate in various chemical reactions, such as esterification or amidation, making it versatile in synthetic applications. Additionally, the thiophene ring contributes to its electronic properties, potentially allowing for interactions in biological systems. Safety data sheets should be consulted for handling and storage guidelines, as with any chemical substance, to ensure proper safety measures are taken. Overall, this compound exemplifies the complexity and utility of heterocyclic compounds in chemical research and application.
Formula:C13H18O2S
InChI:InChI=1S/C13H18O2S/c1-13(2,3)9-4-5-10-8(6-9)7-11(16-10)12(14)15/h7,9H,4-6H2,1-3H3,(H,14,15)
InChI key:InChIKey=VDSYCTWGBTXSEX-UHFFFAOYSA-N
SMILES:C(C)(C)(C)C1CC2=C(SC(C(O)=O)=C2)CC1
Synonyms:
  • (5R)-5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
  • (5S)-5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
  • 5-(1,1-Dimethylethyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-2-carboxylic acid
  • Benzo[b]thiophene-2-carboxylic acid, 5-(1,1-dimethylethyl)-4,5,6,7-tetrahydro-
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