Benzyl 2-methyl-4-oxo-1-piperidinecarboxylate

Basic Information

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CAS Number

849928-34-3

Molecular Formula

C14H17NO3

Molecular Weight

247.29 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 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

Density

1.164

SMILES

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CC1CC(=O)CCN1C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C14H17NO3/c1-11-9-13(16)7-8-15(11)14(17)18-10-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3

InChIKey

NKUKIRSAMUEXPP-UHFFFAOYSA-N

LogP

2.3766000000000007

Topological Polar Surface Area

46.61 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

310

Synonyms & References

English

1-Cbz-2-methyl-4-piperidone
SB11479
SB11478
EN300-269005
849928-34-3
MFCD16660834
DTXSID10677500
AS-42380
AM804398
SY097302
J-504481
FT-0693085
SY097312
CS-0037639
ZIB92834
Racemic benzyl 2-methyl-4-oxopiperidine-1-carboxylate
SCHEMBL754805
AKOS015899329
Benzyl2-methyl-4-oxopiperidine-1-carboxylate
SB11480
MFCD05861569
1-Cbz-2-methyl-piperidin-4-one
Benzyl 2-methyl-4-oxopiperidine-1-carboxylate
NKUKIRSAMUEXPP-UHFFFAOYSA-N
1-Cbz-2-methylpiperidin-4-one
1-Cbz-2-Methylpiperidin-4-one
1-Piperidinecarboxylicacid, 2-methyl-4-oxo-, phenylmethyl ester
2-Methyl-4-oxo-piperidine-1-carboxylic acid benzyl ester
N-1-Cbz-2-methyl piperidin-4-one
1-Benzyloxycarbonyl-2-methylpiperidin-4-one
benzyl 2-methyl-4-oxo-piperidine-1-carboxylate

MDL Number

MFCD05861569

Customs Code

2933399090

FAQ

What are the physical and chemical properties of Benzyl 2-methyl-4-oxo-1-piperidinecarboxylate (CAS: 849928-34-3)?

Benzyl 2-methyl-4-oxo-1-piperidinecarboxylate is a white crystalline powder with a molecular weight of approximately 250.35 g/mol. It is sparingly soluble in water but soluble in common organic solvents like ethanol and acetone. The compound is moderately reactive towards nucleophiles and can undergo ester hydrolysis under basic conditions. It has low volatility and a melting point of around 120-122°C.

How is Benzyl 2-methyl-4-oxo-1-piperidinecarboxylate (CAS: 849928-34-3) typically synthesized?

Benzyl 2-methyl-4-oxo-1-piperidinecarboxylate can be synthesized via the reaction of benzyl chloride with 2-methyl-4-oxo-1-piperidinecarboxylic acid. The synthesis typically involves the use of a base like triethylamine to facilitate the nucleophilic substitution reaction. The product is isolated by filtration and recrystallization from ethanol, yielding a white crystalline solid with high purity.

What industries use Benzyl 2-methyl-4-oxo-1-piperidinecarboxylate (CAS: 849928-34-3)?

Benzyl 2-methyl-4-oxo-1-piperidinecarboxylate is primarily used in the pharmaceutical industry for the synthesis of various drugs. It also finds applications in the polymer industry as a monomer for the production of polymers with specific properties. Additionally, it is used in the development of sensors and semiconductors due to its unique chemical functionality.

What precautions should be taken when handling Benzyl 2-methyl-4-oxo-1-piperidinecarboxylate (CAS: 849928-34-3)?

When handling Benzyl 2-methyl-4-oxo-1-piperidinecarboxylate, it is important to wear appropriate personal protective equipment (PPE) including gloves and safety goggles. This compound should be handled in a well-ventilated area or a fume hood due to its reactivity. In case of a spill, it should be carefully cleaned up using appropriate absorbents, and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions and emergency procedures.