Ethyl 4-oxo-1-piperidinecarboxylate

Basic Information

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CAS Number

29976-53-2

Molecular Formula

C8H13NO3

Molecular Weight

171.2 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

Basic Physical Properties

Boiling Point

151°C/24mmHg

Refractive Index

n20/D 1.475(lit.)

SMILES

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CCOC(=O)N1CCC(=O)CC1

InChI

InChI=1S/C8H13NO3/c1-2-12-8(11)9-5-3-7(10)4-6-9/h2-6H2,1H3

InChIKey

LUBGFMZTGFXIIN-UHFFFAOYSA-N

LogP

0.8078

Topological Polar Surface Area

46.61 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

181

Safety Information

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GHS Hazard Pictograms

H227

Hazard Statement

H227 Combustible liquid
Flammable liquids

Hazard Class

Class Comb liq Class Comb liq

Synonyms & References

English

NSC139022
1-Piperidinecarboxylic acid, 4-oxo-, ethyl ester
4-oxo-piperidine-1-carboxylic acid ethyl ester
W-106965
Ethyl 4-Piperidone-N-carboxylate
N-Carbethoxy-4-piperidone
1-(Ethoxycarbonyl)-4-piperidone
Ethyl 4-oxopiperidine-1-carboxylate
LORATADINE IMPURITY H [EP IMPURITY]
1-carbethoxypiperidin-4-one
F1908-0061
DTXSID0057704
CS-0008473
Z33618657
SCHEMBL158497
AKOS000119559
ethyl 4-oxopiperidinecarboxylate
ethyl 4-oxopiperidine-1-carboxylate;ethyl4-oxopiperidine-1-carboxylate
1-Ethoxycarbonyl-4-oxopiperidine
Ethyl 4-Oxopiperidine-1-carboxylate; Loratadine Imp. H (EP); Loratadine Impurity H
MFCD00006188
BCP23114
A5543
7H5JX1S259
NSC-139022
DTXCID8031493
SR-01000944742-1
N-Ethoxycarbonyl-4-piperidinone
n-carbethoxy-4-piperidinone
Ethyl 4-oxo-1-piperidinecarboxylate, 98%
AM20090403

MDL Number

MFCD00006188

Customs Code

2933399090

FAQ

What is Ethyl 4-oxo-1-piperidinecarboxylate (CAS: 29976-53-2)?

Ethyl 4-oxo-1-piperidinecarboxylate (CAS: 29976-53-2) is an organic compound with the chemical formula C9H15NO3. It is a piperidine derivative characterized by a carbonyl group and an ethyl ester functional group. This compound is typically a white crystalline solid with moderate solubility in organic solvents. It is used as an intermediate in various chemical processes due to its reactivity and structural versatility.

What are the main uses of Ethyl 4-oxo-1-piperidinecarboxylate (CAS: 29976-53-2)?

Ethyl 4-oxo-1-piperidinecarboxylate (CAS: 29976-53-2) is primarily used in pharmaceutical research as a building block for drug development, particularly in synthesizing analgesics and antipsychotic agents. It also serves as an industrial reagent in organic synthesis and polymer science. In research settings, it is valued for its role in creating derivatives with tailored biological activities, though its direct application in food or consumer products is limited.

Is Ethyl 4-oxo-1-piperidinecarboxylate (CAS: 29976-53-2) safe?

Ethyl 4-oxo-1-piperidinecarboxylate (CAS: 29976-53-2) is generally considered safe when handled properly. However, it may cause skin or eye irritation upon contact. Precautions include wearing gloves, safety goggles, and ensuring adequate ventilation. It is not classified as highly toxic, but adherence to standard lab safety protocols and OSHA guidelines is recommended to minimize exposure risks.

How should Ethyl 4-oxo-1-piperidinecarboxylate (CAS: 29976-53-2) be stored?

Ethyl 4-oxo-1-piperidinecarboxylate (CAS: 29976-53-2) should be stored in a cool, dry place, away from light, in a sealed container. It is stable under normal storage conditions but may degrade if exposed to moisture or high temperatures. For long-term storage, refrigeration at 2-8°C is advised, and it should be kept in airtight, dark-colored glass or plastic containers to prevent contamination and maintain purity.