1-Boc-3-oxoazepane

Name: 1-Boc-3-oxoazepane
Brand: ChemScene
Availability: InStock
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CAS No. 870842-23-2
Cat. No. CS-W003514
Molecule weight213.27
Purity≥98%
MDL No.MFCD08443803

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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+
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Structure of 870842-23-2

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General Information

CAS No. 870842-23-2
Cat. No. CS-W003514
Purity ≥98%
MDL No. MFCD08443803
Storage -20°C, sealed storage, away from moisture
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₁H₁₉NO₃
Molecular Weight 213.27
Synonym(s) Tert-butyl 3-oxoazepane-1-carboxylate
SMILES O=C1CCCCN(C1)C(=O)OC(C)(C)C

Description

1-Boc-3-oxoazepane features a stable Boc-protected ketone within a seven-membered heterocyclic framework, enabling direct incorporation into complex molecular architectures. This bench-stable intermediate supports late-stage functionalization and facilitates efficient access to nitrogen-containing scaffolds in medicinal chemistry workflows.

Application

1-Boc-3-oxoazepane serves as a versatile synthon for the construction of nitrogen-containing heterocycles, particularly in medicinal chemistry and natural product synthesis. The Boc-protected amine enables stable handling and orthogonal functional group manipulation, while the 3-oxo moiety facilitates nucleophilic addition, reductive amination, and cyclization reactions. Its bench-stable nature and compatibility with standard synthetic protocols make it well-suited for iterative building-block strategies in complex molecule assembly.

Synthesis

Route1
- 1179348-71-0
- ~66%
- In-stock
  
  870842-23-2
References
- Mangion, Ian K.; Nwamba, Ikenna K.; Shevlin, Michael; Huffman, Mark A. Organic Letters, 2009 , vol. 11, # 16 p. 3566 - 3569

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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Computational Chemistry Data

TPSA 46.61
LogP 1.9765
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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1-Boc-3-oxoazepane

CAS No. 870842-23-2

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