diethyl 3-amino-1H-pyrrole-2,4-dicarboxylate

Basic Information

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CAS Number

853058-40-9

Molecular Formula

C10H14N2O4

Molecular Weight

226.23 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

SMILES

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O=C(C1=C(N)C(C(OCC)=O)=CN1)OCC

InChI

InChI=1S/C10H14N2O4/c1-3-15-9(13)6-5-12-8(7(6)11)10(14)16-4-2/h5,12H,3-4,11H2,1-2H3

InChIKey

JLMFCRWHSHFKAJ-UHFFFAOYSA-N

LogP

0.9502999999999997

Topological Polar Surface Area

94.41000000000001 Å²

Hydrogen Bond Donor/Acceptor

3 / 6

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

dimethyl 3-amino-1H-pyrrole-2,4-dicarboxylate
Diethyl 3-amino-1H-pyrrole-2,4-dicarboxylate
3-AMINO-1H-PYRROLE-2,4-DICARBOXYLIC ACID DIETHYL ESTER
2,4-diethyl 3-amino-1H-pyrrole-2,4-dicarboxylate

MDL Number

MFCD10566518

FAQ

What is diethyl 3-amino-1H-pyrrole-2,4-dicarboxylate (CAS: 853058-40-9)?

Diethyl 3-amino-1H-pyrrole-2,4-dicarboxylate (CAS: 853058-40-9) is a chemical compound with a molecular formula of C8H11NO4. It is a colorless to white crystalline solid with a characteristic odor. This compound is characterized by its acidic nature and amine functionality.

What are the main uses of diethyl 3-amino-1H-pyrrole-2,4-dicarboxylate (CAS: 853058-40-9)?

Diethyl 3-amino-1H-pyrrole-2,4-dicarboxylate (CAS: 853058-40-9) is primarily used in pharmaceuticals as an intermediate in the synthesis of various organic compounds. It also finds applications in the research and development of new materials and in the chemical industry as a reagent or building block.

Is diethyl 3-amino-1H-pyrrole-2,4-dicarboxylate (CAS: 853058-40-9) safe?

Diethyl 3-amino-1H-pyrrole-2,4-dicarboxylate (CAS: 853058-40-9) is generally considered safe when handled with proper precautions. However, it is important to follow safety guidelines, such as wearing appropriate personal protective equipment (PPE) including gloves and goggles, to prevent skin contact and inhalation. Proper ventilation should be ensured during handling.

How should diethyl 3-amino-1H-pyrrole-2,4-dicarboxylate (CAS: 853058-40-9) be stored?

Diethyl 3-amino-1H-pyrrole-2,4-dicarboxylate (CAS: 853058-40-9) should be stored in a cool, dry place away from direct sunlight and sources of heat. It should be kept in a tightly sealed container to prevent degradation and contamination. The storage temperature should not exceed 25°C to ensure stability and safety.