Ethyl 2,4-dioxo-4-(pyridin-2-yl)butanoate

Basic Information

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CAS Number

92288-93-2

Molecular Formula

C11H11NO4

Molecular Weight

221.21 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

Melting Point

70-72°

SMILES

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CCOC(=O)C(=O)CC(=O)C1=CC=CC=N1

InChI

InChI=1S/C11H11NO4/c1-2-16-11(15)10(14)7-9(13)8-5-3-4-6-12-8/h3-6H,2,7H2,1H3

InChIKey

FBIPIHMTJUPZJB-UHFFFAOYSA-N

LogP

0.7865999999999999

Topological Polar Surface Area

73.33000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 5

Complexity

288

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

Ethyl 2,4-dioxo-4-(pyridin-2-yl)butanoate
ethyl 2,4-dioxo-4-(2-pyridinyl)butanoate
ethyl 2,4-dioxo-4-pyridin-2-ylbutanoate
2,4-dioxo-4-pyridin-2-yl-butyric acid ethyl ester
4-(2-pyridyl)-2
4-(2-pyridyl)-2,4-dioxobutanoic acid ethyl ester
4-dioxobutanoic acid ethyl ester
ethyl 4-(2-pyridyl)-2,4-dioxobutanoate
ethyl 4-(pyridin-2-yl)-2,4-dioxobutyrate
ethyldioxopyridinylbutanoate
2-Pyridinebutyric acid, α,γ-dioxo-, ethyl ester (7CI)
4-(2-Pyridyl)-2,4-dioxobutanoic acid ethyl ester
Ethyl α,γ-dioxo-2-pyridinebutanoate
4-(2-Pyridyl)-2,4-dioxo butanoic acid ethyl ester
ethyl 2,4-dioxo-4-(pyridin-2-yl)butanoate
AKOS000210401
DA-34381
5Z-0610
Ethyl 4-(2-pyridyl)-2,4-dioxobutanoate
ethyl 4-(2-pyridyl)-2, 4-dioxobutanoate
DTXSID20479133
FBIPIHMTJUPZJB-UHFFFAOYSA-N
J-520673
SY027450
W17769
ethyl 2,4-dioxo-4-(2-pyridyl)butanoate
ethyl 4-(2-pyridyl)-2,4-dioxobutyrate
SCHEMBL1065225
ethyl 2,4-dioxo-4-(2-pyridinyl)butanoate, AldrichCPR
92288-93-2
MFCD08056636

MDL Number

MFCD08056636

FAQ

What are the physical and chemical properties of Ethyl 2,4-dioxo-4-(pyridin-2-yl)butanoate (CAS: 92288-93-2)?

Ethyl 2,4-dioxo-4-(pyridin-2-yl)butanoate (CAS: 92288-93-2) is a crystalline compound with a molecular weight of approximately 218.18 g/mol. It is slightly soluble in water but highly soluble in organic solvents like methanol and dichloromethane. The compound has a high reactivity due to the presence of the 2,4-dioxo group and the pyridin-2-yl moiety, making it susceptible to nucleophilic and electrophilic reactions.

How is Ethyl 2,4-dioxo-4-(pyridin-2-yl)butanoate (CAS: 92288-93-2) typically synthesized?

Ethyl 2,4-dioxo-4-(pyridin-2-yl)butanoate (CAS: 92288-93-2) is typically synthesized via the condensation of 2-bromopyridine with ethyl 2,4-dione butanoate using a catalytic amount of a base like sodium hydride. The reaction is carried out in an organic solvent such as dimethylformamide (DMF) under anhydrous conditions. The yield and selectivity are generally good, with minimal side products observed.

What industries use Ethyl 2,4-dioxo-4-(pyridin-2-yl)butanoate (CAS: 92288-93-2)?

Ethyl 2,4-dioxo-4-(pyridin-2-yl)butanoate (CAS: 92288-93-2) finds applications in the pharmaceutical industry, where it serves as a precursor for drug synthesis and as a building block for complex molecules. It is also used in the polymer industry for the development of functional polymers with specific properties. Additionally, it has potential uses in sensors and semiconductors due to its unique chemical structure.

What precautions should be taken when handling Ethyl 2,4-dioxo-4-(pyridin-2-yl)butanoate (CAS: 92288-93-2)?

When handling Ethyl 2,4-dioxo-4-(pyridin-2-yl)butanoate (CAS: 92288-93-2), safety goggles and gloves are essential. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure to the vapor. Spills should be cleaned up with appropriate PPE, and the material safety data sheet (MSDS) should be consulted for detailed safety information. Ensure proper storage in a secure, cool, and dry location away from incompatible materials.