8-Bromo-3,4-dihydro-2H-benzo[b]oxepin-5-one

Name: 8-Bromo-3,4-dihydro-2H-benzo[b]oxepin-5-one
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 141106-23-2
Cat. No. CS-D1250
Purity≥98%
MDL No.MFCD09040560

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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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8-Bromo-3,4-dihydro-2H-benzo[b]oxepin-5-one|CS-D1250

Structure of 141106-23-2

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Description

8-Bromo-3,4-dihydro-2H-benzo[b]oxepin-5-one features a brominated oxepin core with a lactone functionality, offering a rigid, electron-deficient scaffold for synthetic exploration. This bench-stable heterocycle integrates readily into complex molecular architectures, serving as a key intermediate in medicinal chemistry and materials science applications.

Application

8-Bromo-3,4-dihydro-2H-benzo[b]oxepin-5-one serves as a versatile scaffold for the synthesis of bioactive heterocycles, offering a rigid, planar core with defined regiochemistry. The bromine substituent enables palladium-catalyzed cross-coupling reactions, while the ketone function supports nucleophilic addition and enolate chemistry. Its bench-stable nature and compatibility with standard synthetic protocols facilitate efficient access to complex molecular architectures in medicinal chemistry and process development.

General Information

CAS No. 141106-23-2
Cat. No. CS-D1250
Purity ≥98%
MDL No. MFCD09040560
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₉BrO₂
Molecular Weight 241.08
Synonym(s) 8-Bromo-3,4-dihydrobenzo[b]oxepin-5(2H)-one
SMILES O=C1CCCOC2=CC(Br)=CC=C12

Computational Chemistry Data

TPSA 26.3
LogP 2.8044
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 0

Safety Information

Download SDS

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

Quality Control

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Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Other aromatic heterocycles compounds

Key Words

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8-Bromo-3,4-dihydro-2H-benzo[b]oxepin-5-one

CAS No. 141106-23-2

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