Ethyl 2-formyl-3-pyrrolidinecarboxylate

Basic Information

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CAS Number

19076-57-4

Molecular Formula

C8H9NO3

Molecular Weight

167.16 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Aldehydes

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

Basic Physical Properties

Melting Point

117.5 °C

Boiling Point

371.0±27.0 °C(Predicted)

Density

1.249±0.06 g/cm3(Predicted)

SMILES

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CCOC(=O)c1cc[nH]c1C=O

InChI

InChI=1S/C8H9NO3/c1-2-12-8(11)6-3-4-9-7(6)5-10/h3-5,9H,2H2,1H3

InChIKey

OGHZJUOOYWTZSV-UHFFFAOYSA-N

LogP

1.0039

pKa

13.62±0.50(Predicted)

Topological Polar Surface Area

59.160000000000004 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Synonyms & References

English

ethyl 2-formyl-1H-pyrrole-3-carboxylate
1H-Pyrrole-3-carboxylic acid, 2-formyl-, ethyl ester

MDL Number

MFCD20617492

FAQ

What is Ethyl 2-formyl-3-pyrrolidinecarboxylate (CAS: 19076-57-4)?

Ethyl 2-formyl-3-pyrrolidinecarboxylate (CAS: 19076-57-4) is an organic compound that contains a pyrrolidine ring and a formyl group attached to the secondary carbon atom. It is a colorless liquid with a fruity odor. This compound is used in synthetic chemistry and as a building block for other organic molecules.

What are the main uses of Ethyl 2-formyl-3-pyrrolidinecarboxylate (CAS: 19076-57-4)?

Ethyl 2-formyl-3-pyrrolidinecarboxylate (CAS: 19076-57-4) is primarily used in the synthesis of various pharmaceuticals and agrochemicals. It serves as an intermediate in the production of complex organic compounds. Additionally, it is employed in the development of new materials and as a precursor in research laboratories.

Is Ethyl 2-formyl-3-pyrrolidinecarboxylate (CAS: 19076-57-4) safe?

Ethyl 2-formyl-3-pyrrolidinecarboxylate (CAS: 19076-57-4) is generally considered safe under proper handling conditions. However, it is flammable and may cause skin and eye irritation. Protective measures include the use of gloves, goggles, and appropriate ventilation. Avoid contact with skin and eyes, and do not inhale vapors.

How should Ethyl 2-formyl-3-pyrrolidinecarboxylate (CAS: 19076-57-4) be stored?

Ethyl 2-formyl-3-pyrrolidinecarboxylate (CAS: 19076-57-4) should be stored in a cool, dry, and well-ventilated area away from direct sunlight and heat sources. Keep the container tightly sealed to prevent evaporation and contamination. Store it in a container made of glass or plastic that is resistant to the chemical. Avoid storing it with incompatible materials such as strong oxidizers or acids.