1-Benzyl-3-piperidinone

Basic Information

View in Editor

CAS Number

40114-49-6

Molecular Formula

C12H15NO

Molecular Weight

189.26 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

Melting Point

165-174°C

Boiling Point

295 ºC

Flash Point

123 ºC

SMILES

View in Editor

C1CC(=O)CN(C1)CC2=CC=CC=C2

InChI

InChI=1S/C12H15NO/c14-12-7-4-8-13(10-12)9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2

InChIKey

BBQQULRBTOMLTC-UHFFFAOYSA-N

LogP

1.8515000000000001

Topological Polar Surface Area

20.310000000000002 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

197

Safety Information

View Safety Information

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

1-benzylpiperidin-3-one
BBQQULRBTOMLTC-UHFFFAOYSA-N
AC-15327
W-202657
40114-49-6
1-Benzyl-piperidine-3-one
NSC-84168
1-Benzyl-3-piperidinone
A6704
SCHEMBL568477
3-Piperidinone, 1-(phenylmethyl)-
1-(phenylmethyl)-3-piperidinone
SB10200
CS-0135334
N-benzyl-3-piperidone
AM20040403
n-benzyl-3-piperidinone
FT-0647789
BCP23222
1-Benzyl-3-piperidonehydrochloridemonohydrate
l-benzyl-3-piperidinone
AKOS000265072
DTXSID10193154
BB 0216341
NSC 84168
BS-4037
1-benzyl-piperidin-3-one
F8880-6296
SY013805
MFCD00023277
1-Benzyl-3-piperidone

MDL Number

MFCD00023277

Customs Code

2933399090

FAQ

What regulatory guidelines apply to 1-Benzyl-3-piperidinone (CAS: 40114-49-6)?

1-Benzyl-3-piperidinone (CAS 40114-49-6) falls under various regulatory guidelines. It is classified under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) as a health hazard. In the European Union, it is regulated under REACH regulations, which require manufacturers and importers to register the chemical with the European Chemicals Agency. The U.S. FDA and EPA also have specific requirements for the handling and use of this compound, including reporting of significant exposures and environmental releases.

Are there alternatives to 1-Benzyl-3-piperidinone (CAS: 40114-49-6) in synthesis?

Several alternatives can be used as substitutes for 1-Benzyl-3-piperidinone (CAS 40114-49-6) in synthesis, including 1-Phenylethylpiperidin-3-one and 1-Cyclohexylethylpiperidin-3-one. These are structurally similar and can serve as effective replacements, depending on the specific requirements of the reaction. Other common reagents such as benzylideneacetone can also be considered based on the desired functional groups and reaction conditions.

What is the market or research trend for 1-Benzyl-3-piperidinone (CAS: 40114-49-6)?

The market for 1-Benzyl-3-piperidinone (CAS 40114-49-6) is influenced by its applications in pharmaceuticals, particularly as an intermediate in the synthesis of piperidinone derivatives. Research trends indicate a growing interest in its use as a precursor for developing novel drugs with anti-inflammatory and analgesic properties. Additionally, there is a trend towards exploring its potential in agrochemicals and as a flavoring agent, driven by increasing demand in the food and beverage industries.

How should waste containing 1-Benzyl-3-piperidinone (CAS: 40114-49-6) be handled?

Waste containing 1-Benzyl-3-piperidinone (CAS 40114-49-6) should be handled with care to minimize environmental impact. Collection of waste should be done in appropriate containers lined with leak-proof materials. For incineration, ensure compliance with local environmental regulations. Professional waste disposal services should be utilized for safe disposal. Environmental precautions include proper labeling of waste containers and adherence to local hazardous waste management protocols to prevent contamination of soil and water sources.