Benzyl 4-oxoazepane-1-carboxylate

Name: Benzyl 4-oxoazepane-1-carboxylate
Brand: ChemScene
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CAS No. 83621-33-4
Cat. No. CS-W006808
Purity≥97%
MDL No.MFCD03788442

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Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
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Benzyl 4-oxoazepane-1-carboxylate|CS-W006808

Structure of 83621-33-4

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Description

Benzyl 4-oxoazepane-1-carboxylate features a seven-membered azepane ring with a ketone at the C4 position and a benzyl ester at C1, providing a versatile scaffold for synthetic transformations. This bench-stable, moisture-tolerant compound integrates readily into complex molecular architectures, enabling efficient access to nitrogen-containing heterocycles through selective reduction or nucleophilic addition reactions.

Application

Benzyl 4-oxoazepane-1-carboxylate serves as a versatile scaffold for the synthesis of nitrogen-containing heterocycles, particularly in medicinal chemistry and process development. The ketone functionality at C4 enables diverse transformations including reductive amination, nucleophilic addition, and enolate-mediated functionalization. Its benzyl ester group offers convenient orthogonal protection and facile deprotection under standard hydrogenolysis conditions. The compound exhibits good bench stability and is compatible with a range of reaction conditions, facilitating efficient access to complex molecular architectures.

General Information

CAS No. 83621-33-4
Cat. No. CS-W006808
Purity ≥97%
MDL No. MFCD03788442
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₄H₁₇NO₃
Molecular Weight 247.29
Synonym(s) PERHYDROAZEPIN-4-ONE, N-CBZ PROTECTED
SMILES O=C1CCCN(CC1)C(=O)OCC2=CC=CC=C2

Computational Chemistry Data

TPSA 46.61
LogP 2.3782
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 2

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

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Other Classifications

Building Blocks Skeleton Aliphatic heterocycle compounds Other aliphatic heterocycles compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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Benzyl 4-oxoazepane-1-carboxylate

CAS No. 83621-33-4

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