Ethyl 1-benzyl-4-oxo-3-pyrrolidinecarboxylate

Basic Information

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CAS Number

1027-35-6

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 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

Basic Physical Properties

Boiling Point

358.1°C at 760 mmHg

Flash Point

170.4°C

Refractive Index

1.554

SMILES

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CCOC(=O)C1CN(Cc2ccccc2)CC1=O

InChI

InChI=1S/C14H17NO3/c1-2-18-14(17)12-9-15(10-13(12)16)8-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3

InChIKey

XLKXIFXOWMGWNT-UHFFFAOYSA-N

LogP

1.2506

Topological Polar Surface Area

46.61 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

310

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

ETHYL 4,4-DIFLUOROPYRROLIDINE-3-CARBOXYLATE
1-Benzyl-4-oxo-pyrrolidine-3-carboxylic acid ethyl ester
3-Pyrrolidinecarboxylicacid, 4-oxo-1-(phenylmethyl)-, ethyl ester
4-oxo-1-(phenylmethyl)-3-Pyrrolidinecarboxylic acid ethyl ester
ethyl 1-benzyl-4-oxo-pyrrolidine-3-carboxylate
Ethyl 1-benzyl-4-oxopyrrolidine-3-carboxylate
1-Benzyl-4-oxopyrrolidine-3-carboxylic acid ethyl ester
Ethyl 1-benzyl-4-pyrrolidone-3-carboxylate
ethyl-benzyl-4-oxopyrrolidine-3-carboxylate
ethyl 4-oxo-1-(phenylmethyl)pyrrolidine-3-carboxylate
1-(benzyl)-4-keto-pyrrolidine-3-carboxylic acid ethyl ester
ethyl 1-benzyl-4-oxopyrrolidine-3-carboxylate

MDL Number

MFCD09998956

FAQ

What regulatory guidelines apply to Ethyl 1-benzyl-4-oxo-3-pyrrolidinecarboxylate (CAS: 1027-35-6)?

Ethyl 1-benzyl-4-oxo-3-pyrrolidinecarboxylate (CAS: 1027-35-6) should comply with the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations, and FDA/EPA requirements. Users must ensure proper labeling, storage, and handling in accordance with these guidelines to prevent exposure and environmental contamination.

Are there alternatives to Ethyl 1-benzyl-4-oxo-3-pyrrolidinecarboxylate (CAS: 1027-35-6) in synthesis?

Ethyl 1-benzyl-4-oxo-3-pyrrolidinecarboxylate (CAS: 1027-35-6) can be synthesized using similar reagents like benzyl-4-oxo-3-pyrrolidinecarboxylic acid and ethyl acetoacetate. Other alternatives include using isomeric compounds or related pyrrolidine derivatives to achieve similar functional groups in the synthesis process.

What is the market or research trend for Ethyl 1-benzyl-4-oxo-3-pyrrolidinecarboxylate (CAS: 1027-35-6)?

The market for Ethyl 1-benzyl-4-oxo-3-pyrrolidinecarboxylate (CAS: 1027-35-6) is growing due to its applications in pharmaceuticals and research. Recent trends indicate increased interest in developing new synthetic routes and exploring its use in drug discovery. Researchers are also focusing on its potential in cosmeceuticals and as a precursor in organic synthesis.

How should waste containing Ethyl 1-benzyl-4-oxo-3-pyrrolidinecarboxylate (CAS: 1027-35-6) be handled?

Waste containing Ethyl 1-benzyl-4-oxo-3-pyrrolidinecarboxylate (CAS: 1027-35-6) should be collected in appropriate containers and disposed of through professional waste disposal services. Incineration is a common method, but ensure compliance with local environmental regulations. Implement proper waste management practices to minimize environmental impact and comply with regulatory requirements.