tert-Butyl 5-oxoazocane-1-carboxylate

CAS No. 1309359-79-2
Cat. No. CS-0079068
Purity≥95%
MDL No.MFCD22391981

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Type	HazMat Fee
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FedEx Limited Quantities Ground	$0.00
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tert-Butyl 5-oxoazocane-1-carboxylate|CS-0079068

Structure of 1309359-79-2

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General Information

CAS No. 1309359-79-2
Cat. No. CS-0079068
Purity ≥95%
MDL No. MFCD22391981
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₂H₂₁NO₃
Molecular Weight 227.30
Synonym(s) None
SMILES O=C(OC(C)(C)C)N1CCCC(CCC1)=O

Description

tert-Butyl 5-oxoazocane-1-carboxylate features a stable, bench-stable cyclic ketone embedded within a nine-membered ring framework. This compound integrates a protected carboxylic acid group that enables selective transformations in complex molecular architectures. The sterically shielded tert-butyl ester facilitates clean deprotection under mild conditions, while the oxo function serves as a pivotal handle for reductive functionalization or nucleophilic addition.

Application

tert-Butyl 5-oxoazocane-1-carboxylate serves as a versatile scaffold for the synthesis of nitrogen-containing heterocycles and bioactive molecules. Its ketone functionality enables efficient enolate formation and subsequent C–C bond construction, while the tert-butyl ester group offers robust protection with facile removal under mild acidic conditions. The molecule exhibits excellent bench stability and compatibility with diverse functional groups, facilitating its use in multi-step synthetic sequences.

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
Precautionary Statements : P264-P270-P280-P301+P310-P302+P352-P305+P351+P338-P330-P332+P313-P337+P313-P362+P364-P501

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Computational Chemistry Data

TPSA 46.61
LogP 2.3666
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Ketone

Building Blocks Skeleton Aliphatic heterocycle compounds Other aliphatic heterocycles compounds

Key Words

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tert-Butyl 5-oxoazocane-1-carboxylate

CAS No. 1309359-79-2

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