CAS 40316-60-7

3,4-Dihydro-2H-1-benzothiopyran-4-ol

Description:

3,4-Dihydro-2H-1-benzothiopyran-4-ol, with the CAS number 40316-60-7, is a heterocyclic organic compound characterized by its benzothiopyran structure, which includes a thiophene ring fused to a benzene ring. This compound features a hydroxyl group (-OH) at the 4-position, contributing to its reactivity and potential biological activity. It is typically a colorless to pale yellow liquid or solid, depending on its purity and form. The presence of the thiophene moiety suggests potential applications in pharmaceuticals and agrochemicals, as thiophene derivatives often exhibit interesting biological properties. The compound may also participate in various chemical reactions, including oxidation and substitution, due to the functional groups present. Its solubility characteristics can vary, often being soluble in organic solvents while having limited solubility in water. As with many organic compounds, safety data should be consulted for handling and usage, as it may pose health risks if not managed properly.

Formula: C₉H₁₀OS

InChI: InChI=1S/C9H10OS/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-4,8,10H,5-6H2

InChI key: InChIKey=FWVSZXYNCFXKRT-UHFFFAOYSA-N

SMILES: OC1C=2C(SCC1)=CC=CC2

Synonyms:

• 1-Thiochroman-4-ol
• 2,3-Dihydro-4H-1-benzothiopyran-4-ol
• 2H-1-Benzothiopyran-4-ol, 3,4-dihydro-
• 3,4-Dihydro-2H-1-benzothiopyran-4-ol
• 3,4-dihydro-2H-thiochromen-4-ol
• 4-Hydroxy-3,4-dihydro-2H-1-benzothiopyran
• Thiochroman-4-ol

3,4-Dihydro-2H-1-benzothiopyran-4-ol

CAS: 40316-60-7

3,4-Dihydro-2H-1-benzothiopyran-4-ol is a reactive intermediate that can be generated by dehydrogenation of benzothiophene. 3,4-Dihydro-2H-1-benzothiopyran-4-ol is used as an activating agent for cross coupling reactions and has been shown to possess functional groups such as cyclopentyl. 3,4-Dihydro-2H-1-benzothiopyran-4-ol has been detected in significant amounts in the X ray crystal structures of lipases. This compound binds to the substrate binding site on lipases and participates in catalytic cleavage. The rate of this reaction increases with temperature and decreases with increasing organic solvent concentration.

Formula: C₉H₁₀OS

Purity: Min. 95%

Molecular weight: 166.24 g/mol

Ref: 3D-QBA31660