Spiro[4H-3,1-benzoxazine-4,4'-piperidin]-2(1H)-one

Basic Information

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CAS Number

84060-09-3

Molecular Formula

C12H14N2O2

Molecular Weight

218.26 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

White to Yellow Solid

Density

1.28

SMILES

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C1CNCCC12C3=CC=CC=C3NC(=O)O2

InChI

InChI=1S/C12H14N2O2/c15-11-14-10-4-2-1-3-9(10)12(16-11)5-7-13-8-6-12/h1-4,13H,5-8H2,(H,14,15)

InChIKey

NHUBGKMFTPUSRP-UHFFFAOYSA-N

LogP

1.8274

Topological Polar Surface Area

50.36 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

287

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

spiro[benzo[d][1,3]oxazine-4,4'-piperidin]-2(1H)-one
spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one
Spiro[4H-3,1-benzoxazine-4,4'-piperidin]-2(1H)-one
1,2-Dihydro-2-oxospiro[4H-3,1-benzoxazine-4,4'-piperidine]
BCP26800
DTXSID00516510
MFCD10566067
84060-09-3
1H-SPIRO[3,1-BENZOXAZINE-4,4'-PIPERIDIN]-2-ONE
NHUBGKMFTPUSRP-UHFFFAOYSA-N
GS-4203
1,2-dihydrospiro[3,1-benzoxazine-4,4'-piperidine]-2-one
SCHEMBL722997
AKOS015855693
spiro[3,1-benzoxazine-4,4'-piperidin]-2(1H)-one
DB-001071
CS-0172739
EN300-6487871
F2147-1247

MDL Number

MFCD10566067

Customs Code

2934999090

FAQ

What are the physical and chemical properties of Spiro[4H-3,1-benzoxazine-4,4'-piperidin]-2(1H)-one (CAS: 84060-09-3)?

Spiro[4H-3,1-benzoxazine-4,4'-piperidin]-2(1H)-one (CAS: 84060-09-3) is a crystalline compound with a molecular weight of approximately 275.33 g/mol. It has a solubility of about 1.0 g/L in water and is slightly soluble in common organic solvents like methanol and ethanol. The compound is known for its high reactivity, particularly towards nucleophilic substitution reactions and condensation reactions.

How is Spiro[4H-3,1-benzoxazine-4,4'-piperidin]-2(1H)-one (CAS: 84060-09-3) typically synthesized?

Spiro[4H-3,1-benzoxazine-4,4'-piperidin]-2(1H)-one (CAS: 84060-09-3) is typically synthesized through a multistep process involving the condensation of a benzoxazine derivative with a piperidine derivative. The synthesis involves the use of a Lewis acid catalyst, such as aluminum chloride, and proceeds with high selectivity and good yield.

What industries use Spiro[4H-3,1-benzoxazine-4,4'-piperidin]-2(1H)-one (CAS: 84060-09-3)?

Spiro[4H-3,1-benzoxazine-4,4'-piperidin]-2(1H)-one (CAS: 84060-09-3) is used in various industries, including pharmaceuticals for its potential as a precursor in drug synthesis, in polymers for its structural properties, and in sensors for its reactivity towards certain analytes. It also has potential applications in the semiconductor industry due to its stability and reactivity.

What precautions should be taken when handling Spiro[4H-3,1-benzoxazine-4,4'-piperidin]-2(1H)-one (CAS: 84060-09-3)?

When handling Spiro[4H-3,1-benzoxazine-4,4'-piperidin]-2(1H)-one (CAS: 84060-09-3), it is essential to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be stored in a cool, dry place away from direct sunlight. In case of spills, they should be cleaned up immediately using appropriate absorbents. Always refer to the Safety Data Sheet (SDS) for detailed handling, storage, and disposal information.