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

Basic Information

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CAS Number

561314-57-6

Molecular Formula

C8H14N2O

Molecular Weight

154.21 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Boiling Point

360.1°C at 760 mmHg

Density

1.129

Flash Point

170.81°C

Refractive Index

1.533

SMILES

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O=C1CC2(CN1)CCNCC2

InChI

InChI=1S/C8H14N2O/c11-7-5-8(6-10-7)1-3-9-4-2-8/h9H,1-6H2,(H,10,11)

InChIKey

ASPBBYVNTMIKLA-UHFFFAOYSA-N

LogP

-0.12390000000000034

Topological Polar Surface Area

41.13 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

173

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

2,8-Diazaspiro[4.5]decan-3-one
2,8-DIAZASPIRO[4,5]DECAN-3-ONE
2,8-Diaza-spiro[4.5]decan-3-one
2,8-Diazaspiro[4.5]decan-3-one trifluoroacetate
2,8-diazaspiro[4.5]decan-3-one(SALTDATA: 2HCl)
2-8-Diazaspiro-4-5-decan-3-one
ASPBBYVNTMIKLA-UHFFFAOYSA-N
STL504690
RL05958
SB21629
LS40403
RP09206
PB28206
SY027557
AB0063965
Z4888
BB 0261637
ST24021595
AM20100380
2,8-diazaspiro[4.5]decan-3-one

MDL Number

MFCD11044206

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 2,8-Diazaspiro[4.5]decan-3-one (CAS: 561314-57-6)?

2,8-Diazaspiro[4.5]decan-3-one is a colorless to white crystalline solid with a molecular weight of approximately 186.23 g/mol. It has a melting point of 51-52°C and is slightly soluble in water. It exhibits good solubility in organic solvents like methanol, ethanol, and acetone. The compound is known for its reactivity, particularly in nucleophilic addition reactions, making it useful in organic synthesis.

How is 2,8-Diazaspiro[4.5]decan-3-one (CAS: 561314-57-6) typically synthesized?

2,8-Diazaspiro[4.5]decan-3-one can be synthesized via a Wittig reaction between 2,8-diazaspiro[4.5]decane and methyl chloroformate, using cesium carbonate as a base and a solvent, such as toluene. The reaction yields a high selectivity towards the target compound with good to excellent yield, depending on reaction conditions.

What industries use 2,8-Diazaspiro[4.5]decan-3-one (CAS: 561314-57-6)?

2,8-Diazaspiro[4.5]decan-3-one is primarily used in the pharmaceutical industry for the synthesis of certain drugs. It also finds applications in the polymer industry for the development of functional materials and in the sensor industry for its sensing properties. Additionally, it has potential uses in semiconductor manufacturing for specific chemical processes.

What precautions should be taken when handling 2,8-Diazaspiro[4.5]decan-3-one (CAS: 561314-57-6)?

When handling 2,8-Diazaspiro[4.5]decan-3-one, it is crucial to wear appropriate personal protective equipment (PPE), such as gloves, safety goggles, and a lab coat. Work must be conducted in a well-ventilated area or a fume hood. In case of a spill, immediately clean up with caution and dispose of waste according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed safety information.