7-Chloro-1,2,3,4-tetrahydrobenzo[b]azepin-5-one

CAS No. 160129-45-3
Cat. No. CS-W003331
Purity≥97%
MDL No.MFCD06738694

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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7-Chloro-1,2,3,4-tetrahydrobenzo[b]azepin-5-one|CS-W003331

Structure of 160129-45-3

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Description

7-Chloro-1,2,3,4-tetrahydrobenzo[b]azepin-5-one is a nitrogen-containing heterocycle featuring a chlorinated benzene ring fused to a saturated azepine core. This scaffold delivers structural rigidity and enhanced metabolic stability, enabling direct incorporation into medicinal chemistry libraries. The electron-withdrawing chlorine substituent modulates reactivity at the adjacent carbonyl group, facilitating selective transformations in synthetic pathways.

Application

7-Chloro-1,2,3,4-tetrahydrobenzo[b]azepin-5-one serves as a versatile heterocyclic building block in medicinal chemistry, enabling the construction of bioactive scaffolds through standard functionalization at the carbonyl and aromatic positions. Its bench-stable nature, combined with tolerance to common reaction conditions, facilitates downstream transformations such as reductive amination, nucleophilic substitution, and coupling reactions, making it valuable for the synthesis of CNS-targeted compounds and kinase inhibitors.

General Information

CAS No. 160129-45-3
Cat. No. CS-W003331
Purity ≥97%
MDL No. MFCD06738694
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₁₀ClNO
Molecular Weight 195.65
Synonym(s) 7-Chloro-3,4-dihydro-1H-benzo[b]azepin-5(2H)-one
SMILES O=C(CCCN1)C2=C1C=CC(Cl)=C2

Computational Chemistry Data

TPSA 29.1
LogP 2.7284
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 0

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

Bioactive Molecules Natural Products

Building Blocks Functional Group Chloride

Building Blocks Functional Group Ketone

Building Blocks Skeleton Aromatic heterocycle compounds Other aromatic heterocycles compounds

Key Words

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7-Chloro-1,2,3,4-tetrahydrobenzo[b]azepin-5-one

CAS No. 160129-45-3

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