Ethyl 1-benzyl-4-oxo-3-piperidinecarboxylate hydrochloride (1:1)

Basic Information

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CAS Number

1454-53-1

Molecular Formula

C15H20ClNO3

Molecular Weight

297.78 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 Esters

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

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

Solid

Melting Point

175 °C (dec.)

Boiling Point

379.7°Cat760mmHg

Flash Point

183.4℃

SMILES

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CCOC(=O)C1CN(CCC1=O)CC2=CC=CC=C2.Cl

InChI

InChI=1S/C15H19NO3.ClH/c1-2-19-15(18)13-11-16(9-8-14(13)17)10-12-6-4-3-5-7-12;/h3-7,13H,2,8-11H2,1H3;1H

InChIKey

YPFMNHZRNXPYBG-UHFFFAOYSA-N

LogP

2.0625

Topological Polar Surface Area

46.61 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

323

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

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

BCP06151
Ethyl 1-benzyl-4-oxo-3-piperidinecarboxylate hydrochloride, 95%
NSC-15156
EINECS 215-929-9
SCHEMBL1000168
Ethyl 1-benzyl-4-oxo-3-piperidinecarboxylate hydrochloride
FT-0630293
B2030
CS-D0522
ethyl 1-benzyl-4-oxopiperidine-3-carboxylate;hydrochloride
NSC 15156
Q-200107
Ethyl -1-benzyl-4-oxo-piperidine-3-carboxylate hydrochloride
NSC15156
Z210803802
1-BENZYL-4-OXO-PIPERIDINE-3-CARBOXYLIC ACID ETHYL ESTER HYDROCHLORIDE
BP-12326
1-Benzyl-3-carbethoxy-4-piperidone hydrochloride
SY017469
AM20061144
Ethyl1-benzyl-4-oxopiperidine-3-carboxylatehydrochloride
F3145-4996
3-Piperidinecarboxylic acid, 4-oxo-1-(phenylmethyl)-, ethyl ester, hydrochloride (1:1)
1-BENZYL-3-CARBETHOXY-4-PIPERIDONE HCL
YPFMNHZRNXPYBG-UHFFFAOYSA-N
Ethyl 1-Benzyl-4-piperidone-3-carboxylate Hydrochloride
Ethyl 1-Benzyl-4-oxopiperidine-3-carboxylate HCl Hydrate
N-BENZYL-4-PIPERIDONE-3-CARBOXYLIC ACID ETHYL ESTER HCL
ethyl 4-oxo-1-(phenylmethyl)-3-piperidinecarboxylate hydrochloride
1-Benzyl-4-oxo-3-piperidinecarboxylic Acid Ethyl Ester Hydrochloride
1-Benzyl-3-carboethoxy-4-piperidone hydrochloride

MDL Number

MFCD00012800

Customs Code

29339900

FAQ

What are the physical and chemical properties of Ethyl 1-benzyl-4-oxo-3-piperidinecarboxylate hydrochloride (CAS: 1454-53-1)?

Ethyl 1-benzyl-4-oxo-3-piperidinecarboxylate hydrochloride (CAS: 1454-53-1) is a crystalline compound with a molecular weight of approximately 326.3 g/mol. It has good solubility in organic solvents like methanol and ethanol but is somewhat less soluble in water. The compound is prone to hydrolysis under basic conditions. It exhibits good stability under normal conditions but can react with bases to form the free carboxylic acid.

How is Ethyl 1-benzyl-4-oxo-3-piperidinecarboxylate hydrochloride (CAS: 1454-53-1) typically synthesized?

Ethyl 1-benzyl-4-oxo-3-piperidinecarboxylate hydrochloride is typically synthesized via a multistep process involving the condensation of ethyl 3-piperidinecarboxylate with benzylamine followed by hydrolysis and subsequent neutralization with hydrochloric acid. Commonly used catalysts include sodium hydride or potassium carbonate. The reaction yields are generally around 85-90%, and the product is isolated by recrystallization from an appropriate solvent.

What industries use Ethyl 1-benzyl-4-oxo-3-piperidinecarboxylate hydrochloride (CAS: 1454-53-1)?

Ethyl 1-benzyl-4-oxo-3-piperidinecarboxylate hydrochloride (CAS: 1454-53-1) is primarily used in the pharmaceutical industry as a precursor for the synthesis of various medicinal compounds. It also finds application in the polymer industry for the development of novel materials with specific properties. Additionally, it is occasionally used in the production of sensors and as a reagent in certain chemical reactions.

What precautions should be taken when handling Ethyl 1-benzyl-4-oxo-3-piperidinecarboxylate hydrochloride (CAS: 1454-53-1)?

When handling Ethyl 1-benzyl-4-oxo-3-piperidinecarboxylate hydrochloride (CAS: 1454-53-1), it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Handling should be performed in a well-ventilated area or fume hood to minimize exposure to the compound. Spills should be cleaned up using appropriate absorbent materials, and the area should be thoroughly washed with water. Always consult the Safety Data Sheet (SDS) for specific handling guidelines and emergency procedures.