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CS-W001157 4
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3,4-Dihydro-1H-benzo[c]azepin-5(2H)-one hydrochloride

  • CAS No. 1215074-38-6

  • Cat. No. CS-B0972
  • Purity≥98%
  • MDL No.MFCD14581710

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

3,4-Dihydro-1H-benzo[c]azepin-5(2H)-one hydrochloride|CS-B0972

Structure of 1215074-38-6

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General Information

  • CAS No. 1215074-38-6
  • Cat. No. CS-B0972
  • Purity ≥98%
  • MDL No. MFCD14581710
  • Storage 4°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₂ClNO
  • Molecular Weight 197.66
  • Synonym(s) 3,4-dihydro-1H-benzo[c]azepin-5(2H)-one (hydrochloride)
  • SMILES O=C1CCNCC2=CC=CC=C12.[H]Cl

Description

3,4-Dihydro-1H-benzo[c]azepin-5(2H)-one hydrochloride features a fused bicyclic core with intrinsic stability and enhanced solubility due to the protonated amine. This scaffold integrates readily into medicinal chemistry campaigns targeting CNS modulators. The hydrochloride salt form ensures reliable crystallinity and handling under standard bench conditions.

Application

3,4-Dihydro-1H-benzo[c]azepin-5(2H)-one hydrochloride serves as a versatile heterocyclic building block for medicinal chemistry campaigns, enabling efficient access to bioactive scaffolds. Its amide functionality and constrained aromatic core facilitate robust coupling reactions and functionalization at multiple positions. The hydrochloride salt enhances solubility and crystallinity, simplifying purification and handling in standard synthetic workflows.

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   29.1
  • LogP   1.7844
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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