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3,7-Dichloro-10,11-dihydro-5H-dibenzo[b,f]azepine

  • CAS No. 13080-74-5

  • Cat. No. CS-0161166
  • Purity≥97%
  • MDL No.MFCD31382271

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

3,7-Dichloro-10,11-dihydro-5H-dibenzo[b,f]azepine|CS-0161166

Structure of 13080-74-5

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General Information

  • CAS No. 13080-74-5
  • Cat. No. CS-0161166
  • Purity ≥97%
  • MDL No. MFCD31382271
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₁Cl₂N
  • Molecular Weight 264.15
  • Synonym(s) 3,7-dichloro-10,11-dihydro-1H-dibenzo[b,f]azepine
  • SMILES ClC1=CC=C2CCC3=CC=C(Cl)C=C3NC2=C1

Description

3,7-Dichloro-10,11-dihydro-5H-dibenzo[b,f]azepine features a rigid, electron-deficient dibenzoazepine core with halogen substituents at the 3- and 7-positions, enhancing its utility in medicinal chemistry. This bench-stable scaffold integrates readily into bioactive molecule design, offering structural rigidity and tunable electronic properties for targeted receptor interactions.

Application

3,7-Dichloro-10,11-dihydro-5H-dibenzo[b,f]azepine serves as a versatile scaffold for the synthesis of bioactive heterocycles, offering enhanced stability and predictable reactivity in electrophilic substitution and coupling processes. Its functional group tolerance facilitates downstream derivatization, while the dihydroazepine core provides structural rigidity beneficial in medicinal chemistry optimization. The compound is bench-stable and amenable to standard purification techniques, enabling reliable use in multi-step synthetic sequences.

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-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   12.03
  • LogP   4.8356
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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