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5-(tert-butyl)benzo[b]thiophene
$250.00
CAS No.: 17515-00-3
Catalog No.: 195029
Purity: 95%
MF: C12H14S
MW: 190.311
Storage: 2-8 degree Celsius
SMILES: C(C)(C)(C)C1=CC2=C(SC=C2)C=C1
Catalog No.: 195029
Purity: 95%
MF: C12H14S
MW: 190.311
Storage: 2-8 degree Celsius
SMILES: C(C)(C)(C)C1=CC2=C(SC=C2)C=C1
5-(tert-butyl)benzo[b]thiophene; CAS No.: 17515-00-3; 5-(tert-butyl)benzo[b]thiophene. PROPERTIES: 5-(tert-butyl)benzo[b]thiophene appears as white to off-white crystalline needles with a faint sulfur odor. Its molecular formula is C11H12S, corresponding to a molecular weight of approximately 184.28 g/mol. The compound exhibits a melting point in the range of 50-53 C and demonstrates moderate solubility in common organic solvents such as toluene, chloroform, and acetone while being practically insoluble in water. It is stable under normal laboratory conditions but should be protected from strong oxidizing agents and prolonged exposure to heat. Proper storage involves keeping it in a tightly sealed container at room temperature (15-25 C) in a dry environment. Safety considerations include wearing appropriate protective equipment as the compound may cause skin and eye irritation. Inhalation of vapors should be avoided, and in case of accidental exposure, thorough washing with water and medical consultation is advised. APPLICATIONS: 5-(tert-butyl)benzo[b]thiophene serves as a valuable intermediate in the synthesis of pharmaceuticals, particularly in the preparation of certain anticancer agents and anti-inflammatory drugs where its thiophene ring and tert-butyl group provide structural features important for receptor binding and metabolic stability (Journal of Medicinal Chemistry). In materials science, 5-(tert-butyl)benzo[b]thiophene functions as a building block for creating conjugated polymers and organic semiconductors used in organic photovoltaics and field-effect transistors. Its electron-rich thiophene moiety enables effective charge transport properties, while the tert-butyl group enhances solubility and processability (Advanced Materials). Additionally, the compound finds application in the preparation of certain agrochemicals, though specific applications in this area are limited to non-agricultural research settings (Pest Management Science). The compound is also employed in the synthesis of fluorescent probes and sensors, where its thiophene ring provides strong fluorescence quantum yield and its tert-butyl substituent allows for environmental sensitivity (Analytical Chemistry).
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