1-Benzyl-4-methyl-3-piperidinone

Basic Information

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CAS Number

32018-96-5

Molecular Formula

C13H17NO

Molecular Weight

203.28 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

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

Boiling Point

302.9°C at 760 mmHg

SMILES

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O=C1CN(CC2=CC=CC=C2)CCC1C

InChI

InChI=1S/C13H17NO/c1-11-7-8-14(10-13(11)15)9-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3

InChIKey

BSBVJNUGGBQEPO-UHFFFAOYSA-N

LogP

2.0975

Topological Polar Surface Area

20.310000000000002 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

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

1-Benzyl-4-methylpiperidin-3-one
3-Piperidinone, 4-methyl-1-(phenylmethyl)-
4-Methyl-1-(phenylmethyl)-3-piperidinone
1-benzyl-4-methyl-piperidin-3-one
N-benzyl-4-methylpiperidin-3-one
1-benzyl-4-methylpiperidin-3-one

MDL Number

MFCD16619159

Customs Code

2933399090

FAQ

What are the physical and chemical properties of 1-Benzyl-4-methyl-3-piperidinone (CAS: 32018-96-5)?

1-Benzyl-4-methyl-3-piperidinone is a white crystalline solid with a molecular weight of approximately 237.31 g/mol. It has a melting point of 98-100°C and is slightly soluble in water but soluble in organic solvents. It is known for its mild reactivity towards nucleophiles. The compound is stable under normal conditions but should be stored away from moisture and heat.

How is 1-Benzyl-4-methyl-3-piperidinone (CAS: 32018-96-5) typically synthesized?

1-Benzyl-4-methyl-3-piperidinone can be synthesized through a base-promoted condensation reaction between 1-benzylpiperidine and acetic anhydride, using sodium hydroxide as a catalyst. The reaction yields 1-Benzyl-4-methyl-3-piperidinone with good selectivity and high yield. The process is typically performed at room temperature or slightly elevated temperatures.

What industries use 1-Benzyl-4-methyl-3-piperidinone (CAS: 32018-96-5)?

1-Benzyl-4-methyl-3-piperidinone is used in the pharmaceutical industry as a precursor for drug synthesis, in the polymer industry for the production of functional polymers, and in the chemical sensing industry for developing gas sensors. It also finds applications in semiconductor manufacturing for certain etching processes.

What precautions should be taken when handling 1-Benzyl-4-methyl-3-piperidinone (CAS: 32018-96-5)?

When handling 1-Benzyl-4-methyl-3-piperidinone, wear appropriate personal protective equipment (PPE) including gloves, goggles, and a laboratory coat. Ensure that the work is conducted in a well-ventilated area or a fume hood. Spills should be cleaned up using appropriate absorbent materials, and the area should be thoroughly rinsed with water. Refer to the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.