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7,8-Difluoro-6,11-dihydrodibenzo[b,e]thiepin-11-ol

  • CAS No. 1985607-83-7

  • Cat. No. CS-0040733
  • Molecule weight264.30
  • Purity≥98%
  • MDL No.MFCD31693069

*For research and further manufacturing use only, not for direct human use.

7,8-Difluoro-6,11-dihydrodibenzo[b,e]thiepin-11-ol|CS-0040733

Structure of 1985607-83-7

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General Information

  • CAS No. 1985607-83-7
  • Cat. No. CS-0040733
  • Purity ≥98%
  • MDL No. MFCD31693069
  • Storage 4°C, sealed storage, away from moisture and light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₀F₂OS
  • Molecular Weight 264.30
  • Synonym(s) tert-butyl (3-(benzyloxy)-4-oxo-2-((2-(2-oxoethoxy)ethyl)carbamoyl)pyridin-1(4H)-yl)carbamate
  • SMILES OC1C2=CC=CC=C2SCC3=C(F)C(F)=CC=C13

Description

7,8-Difluoro-6,11-dihydrodibenzo[b,e]thiepin-11-ol features a rigid, polycyclic scaffold with two fluorine atoms at the 7,8-positions, enhancing metabolic stability and lipophilicity. The phenolic hydroxyl group at C11 enables direct functionalization or hydrogen bonding in medicinal chemistry applications. This bench-stable, moisture-tolerant compound serves as a key intermediate for bioactive molecule synthesis.

Application

7,8-Difluoro-6,11-dihydrodibenzo[b,e]thiepin-11-ol serves as a versatile heterocyclic building block for medicinal chemistry campaigns, offering enhanced metabolic stability and modulated lipophilicity due to the strategic placement of fluorine atoms. The phenolic hydroxyl group enables direct functionalization or derivatization, while the dibenzothiepin core provides a rigid, planar scaffold suitable for target-directed synthesis. Bench-stable and amenable to standard purification techniques, it facilitates efficient incorporation into complex molecular architectures.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P280-P302+P352

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Computational Chemistry Data

  • TPSA   20.23
  • LogP   3.6522
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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