2,8-Diazaspiro[4.5]decan-3-one

Name: 2,8-Diazaspiro[4.5]decan-3-one
Brand: ChemScene
Availability: InStock
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CAS No. 561314-57-6
Cat. No. CS-D0625
Purity≥95%
MDL No.MFCD11044206

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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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General Information

CAS No. 561314-57-6
Cat. No. CS-D0625
Purity ≥95%
MDL No. MFCD11044206
Storage RT, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₁₄N₂O
Molecular Weight 154.21
Synonym(s) 2,8-Diazaspiro[4.5]decan-3-one dihydrochloride
SMILES O=C(C1)NCC21CCNCC2

Description

2,8-Diazaspiro[4.5]decan-3-one features a rigid, bridged bicyclic scaffold with two nitrogen atoms at the 2 and 8 positions, enabling precise spatial control in molecular design. The ketone functionality at C3 provides a key handle for derivatization, while the spiro architecture imparts conformational stability. This structure supports applications in medicinal chemistry and catalytic ligand development, where defined stereochemistry and steric profile are critical.

Application

2,8-Diazaspiro[4.5]decan-3-one serves as a versatile scaffold in medicinal chemistry, enabling the construction of complex heterocyclic systems through standard functional group manipulations. Its spirocyclic architecture provides rigidity and defined stereochemistry, facilitating target-directed synthesis. The molecule exhibits good bench stability and compatibility with common coupling and reduction protocols, making it well-suited for iterative library development and process-scale applications.

Synthesis

Route1
- In-stock
  
  945892-88-6
- ~%
- In-stock
  
  561314-57-6
References
- US2009/181996 A1, ; Page/Page column 25 ; US 20090181996 A1
Route2
- In-stock
  
  169206-67-1
- ~99%
- In-stock
  
  561314-57-6
References
- Tai, Vincent W.-F.; Garrido, Dulce; Price, Daniel J.; Maynard, Andrew; Pouliot, Jeffrey J.; Xiong, Zhiping; Seal, John W.; Creech, Katrina L.; Kryn, Luz H.; Baughman, Todd M.; Peat, Andrew J. Bioorganic and Medicinal Chemistry Letters, 2014 , vol. 24, # 10 p. 2288 - 2294

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 41.13
LogP -0.1239
H_Acceptors 2
H_Donors 2
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aliphatic heterocycle compounds Pyrrolidine compounds

Building Blocks Skeleton Aliphatic heterocycle compounds Piperidine compounds

Key Words

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2,8-Diazaspiro[4.5]decan-3-one

CAS No. 561314-57-6

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