3-(3-Chloropropyl)-1,3-dihydro-7,8-dimethoxy-2H-3-benzazepin-2-one

Name: 3-(3-Chloropropyl)-1,3-dihydro-7,8-dimethoxy-2H-3-benzazepin-2-one
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 85175-59-3
Cat. No. CS-0150549
Purity≥98%
MDL No.MFCD09955404

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3-(3-Chloropropyl)-1,3-dihydro-7,8-dimethoxy-2H-3-benzazepin-2-one|CS-0150549

Structure of 85175-59-3

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Description

This benzazepinone scaffold integrates a 3-chloropropyl side chain with electron-donating methoxy groups, enabling selective functionalization in synthetic medicinal chemistry. The pendant chloride supports nucleophilic substitution under mild conditions, while the fused ring system provides rigidity and enhanced metabolic stability for drug discovery applications.

Application

3-(3-Chloropropyl)-1,3-dihydro-7,8-dimethoxy-2H-3-benzazepin-2-one serves as a versatile building block for medicinal chemistry campaigns, enabling efficient incorporation of extended alkyl linkers into bioactive heterocyclic scaffolds. The pendant chloropropyl group facilitates nucleophilic substitution reactions with amines, thiols, and heterocycles, supporting rapid diversification. Bench-stable and amenable to standard purification methods, it functions effectively in modular synthesis workflows targeting CNS-directed compounds and other pharmacologically relevant architectures.

General Information

CAS No. 85175-59-3
Cat. No. CS-0150549
Purity ≥98%
MDL No. MFCD09955404
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₅H₁₈ClNO₃
Molecular Weight 295.77
Synonym(s) None
SMILES COC1=C(C=C2CC(=O)N(CCCCl)C=CC2=C1)OC

Computational Chemistry Data

TPSA 38.77
LogP 2.6881
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 5

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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Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Other aromatic heterocycles compounds

Key Words

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3-(3-Chloropropyl)-1,3-dihydro-7,8-dimethoxy-2H-3-benzazepin-2-one

CAS No. 85175-59-3

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