7,8-Difluoro-6,11-dihydrodibenzo[b,e]thiepin-11-ol
[CAS# 1985607-83-7]

Identification

• Classification: Pharmaceutical intermediate >> Heterocyclic compound intermediate >> Pyrimidine compound >> Alcohol
• Name: 7,8-Difluoro-6,11-dihydrodibenzo[b,e]thiepin-11-ol
• Molecular Formula: C₁₄H₁₀F₂OS
• Molecular Weight: 264.29
• CAS Registry Number: 1985607-83-7
• SMILES: C1C2=C(C=CC(=C2F)F)C(C3=CC=CC=C3S1)O

Properties

• Solubility: Practically insoluble (0.04 g/L) (25 °C), Calc.^*
• Density: 1.400±0.06 g/cm³ (20 °C 760 Torr), Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02 (©1994-2018 ACD/Labs)

Safety Data

• Hazard Symbols: GHS07 Warning
• Risk Statements: H302-H315-H319-H335
• Safety Statements: P261-P280-P301+P312-P302+P352-P305+P351+P338

Discovery and Applications

7,8-Difluoro-6,11-dihydrodibenzo[b,e]thiepin-11-ol is a chemical compound with a unique molecular structure that has garnered significant attention in the fields of medicinal chemistry and material science. Its molecular formula is C14H10F2OS, reflecting its distinctive arrangement of fluorine, sulfur, and oxygen atoms within a complex dibenzothiepin framework.

The discovery of 7,8-Difluoro-6,11-dihydrodibenzo[b,e]thiepin-11-ol was part of ongoing research into fluorinated heterocycles and their potential applications. The compound is synthesized through a multi-step process that typically involves the introduction of fluorine atoms into the dibenzothiepin core, followed by the formation of the hydroxyl group at the 11-position. This synthesis process leverages advanced techniques in organic chemistry to create a molecule with precise structural features.

In medicinal chemistry, 7,8-Difluoro-6,11-dihydrodibenzo[b,e]thiepin-11-ol has shown promise as a pharmacological agent due to its unique chemical properties. The fluorine substitutions on the dibenzothiepin core are known to enhance the compound's binding affinity and metabolic stability. These characteristics make it an interesting candidate for developing new drugs, particularly in the treatment of central nervous system disorders. The compound's ability to interact with neurotransmitter systems has been explored, indicating its potential as an antidepressant or antipsychotic agent.

The applications of 7,8-Difluoro-6,11-dihydrodibenzo[b,e]thiepin-11-ol extend beyond pharmaceuticals. In material science, the compound's structure allows it to be used as a building block for synthesizing advanced materials with specialized properties. Its ability to form stable chemical bonds and its unique electronic properties make it suitable for applications in organic electronics and materials with specific optical or electronic characteristics.

Researchers have also investigated the compound's role as a chemical probe for studying biological systems. Its distinctive structure enables it to interact with biological targets in a way that can provide insights into cellular processes and molecular mechanisms. This aspect of its application is valuable for expanding the understanding of drug-receptor interactions and developing more effective therapeutic agents.

Overall, 7,8-Difluoro-6,11-dihydrodibenzo[b,e]thiepin-11-ol represents a significant advancement in organic chemistry due to its unique structure and potential applications. Its roles in drug discovery and material science highlight its importance as a versatile compound with diverse uses in research and industry.

References

2020. Synthesis of a Baloxavir Marboxil Fragment. Synfacts. DOI: 10.1055/s-0039-1691695

2018. Baloxavir Marboxil. Pharmaceutical Substances. https://pharmaceutical-substances.thieme.com/ps/search-results?docUri=KD-02-0182