Ethyl (2-bromo-4-pyridinyl)acetate

Basic Information

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CAS Number

1256337-24-2

Molecular Formula

C9H10BrNO2

Molecular Weight

244.09 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 Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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CCOC(=O)Cc1ccnc(c1)Br

InChI

InChI=1S/C9H10BrNO2/c1-2-13-9(12)6-7-3-4-11-8(10)5-7/h3-5H,2,6H2,1H3

InChIKey

KGYMYPADDXSRAE-UHFFFAOYSA-N

LogP

1.9497

Topological Polar Surface Area

39.19 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Synonyms & References

English

(2-bromo-pyridin-4-yl)-acetic acid ethyl ester

MDL Number

MFCD10566283

FAQ

What are the physical and chemical properties of Ethyl (2-bromo-4-pyridinyl)acetate (CAS: 1256337-24-2)?

Ethyl (2-bromo-4-pyridinyl)acetate (CAS: 1256337-24-2) is a crystalline compound with a molecular weight of approximately 231.11 g/mol. It is slightly soluble in water and has good solubility in organic solvents such as ethanol. The compound is stable under normal conditions but reacts with strong bases to form pyridine. It is used primarily in organic synthesis and as a reagent in various chemical reactions.

How is Ethyl (2-bromo-4-pyridinyl)acetate (CAS: 1256337-24-2) typically synthesized?

Ethyl (2-bromo-4-pyridinyl)acetate is typically synthesized through a condensation reaction between 2-bromo-4-pyridinecarbaldehyde and acetyl chloride in the presence of a base such as sodium hydroxide. This process provides a high yield and good selectivity. The reaction is often carried out in anhydrous conditions to prevent side reactions.

What industries use Ethyl (2-bromo-4-pyridinyl)acetate (CAS: 1256337-24-2)?

Ethyl (2-bromo-4-pyridinyl)acetate (CAS: 1256337-24-2) is primarily used in the pharmaceutical and fine chemical industries. It serves as a key reagent in the synthesis of various organic compounds and is also utilized in the development of sensors and semiconductors due to its specific functional groups.

What precautions should be taken when handling Ethyl (2-bromo-4-pyridinyl)acetate (CAS: 1256337-24-2)?

When handling Ethyl (2-bromo-4-pyridinyl)acetate (CAS: 1256337-24-2), it is essential to use personal protective equipment (PPE) such as gloves and goggles to prevent skin and eye contact. Store the compound in a fume hood to minimize inhalation risk. In case of a spill, neutralize the compound with an appropriate base and dispose of the waste according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed safety information.