1-(tert-Butyl) 3-ethyl 4-oxoazepane-1,3-dicarboxylate

Name: 1-(tert-Butyl) 3-ethyl 4-oxoazepane-1,3-dicarboxylate
Brand: ChemScene
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CAS No. 98977-37-8
Cat. No. CS-0197545
Purity≥95%
MDL No.None

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FedEx Limited Quantities Ground	$0.00
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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1-(tert-Butyl) 3-ethyl 4-oxoazepane-1,3-dicarboxylate|CS-0197545

Structure of 98977-37-8

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Description

This azepane derivative features a sterically shielded tert-butyl group and an ethyl ester, enabling robust stability and selective reactivity. The 4-oxo functionality enhances electrophilicity at C4, facilitating nucleophilic addition under mild conditions. Designed for modular synthesis in medicinal chemistry, the dicarboxylate scaffold supports efficient derivatization and incorporation into complex heterocyclic frameworks.

Application

1-(tert-Butyl) 3-ethyl 4-oxoazepane-1,3-dicarboxylate serves as a versatile bicyclic building block for the synthesis of nitrogen-containing heterocycles. Its 4-oxo functionality enables enolization and nucleophilic addition, while the ester groups support selective hydrolysis and coupling reactions. The tert-butyl and ethyl substituents provide steric protection and facilitate purification. This compound functions effectively in multistep syntheses requiring controlled reactivity and stability under standard organic transformation conditions.

General Information

CAS No. 98977-37-8
Cat. No. CS-0197545
Purity ≥95%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₄H₂₃NO₅
Molecular Weight 285.34
Synonym(s) 1-Tert-butyl 3-ethyl 4-oxoazepane-1,3-dicarboxylate
SMILES CCOC(=O)C1CN(CCCC1=O)C(=O)OC(C)(C)C

Computational Chemistry Data

TPSA 72.91
LogP 1.7657
H_Acceptors 5
H_Donors 0
Rotatable_Bonds 2

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 : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Other Classifications

Building Blocks Functional Group Ester

Building Blocks Skeleton Aliphatic heterocycle compounds Other aliphatic heterocycles compounds

Key Words

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1-(tert-Butyl) 3-ethyl 4-oxoazepane-1,3-dicarboxylate

CAS No. 98977-37-8

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