CAS 5325-95-1

2-cyanoethyl benzoate

Description:

2-Cyanoethyl benzoate is an organic compound characterized by its ester functional group, derived from benzoic acid and 2-cyanoethanol. It typically appears as a colorless to pale yellow liquid with a distinctive aromatic odor. The compound is known for its moderate polarity, which allows it to dissolve in various organic solvents while being less soluble in water. Its chemical structure features a cyano group (-CN) attached to an ethyl chain, which contributes to its reactivity and potential applications in organic synthesis. 2-Cyanoethyl benzoate is often utilized as an intermediate in the production of pharmaceuticals, agrochemicals, and other fine chemicals due to its ability to participate in nucleophilic substitution reactions. Additionally, it may exhibit properties such as low volatility and stability under standard conditions, making it suitable for various industrial applications. Safety precautions should be observed when handling this compound, as it may pose health risks if ingested or inhaled.

Formula: C₁₀H₉NO₂

InChI: InChI=1/C10H9NO2/c11-7-4-8-13-10(12)9-5-2-1-3-6-9/h1-3,5-6H,4,8H2

SMILES: c1ccc(cc1)C(=O)OCCC#N

2-Cyanoethyl benzoate

CAS: 5325-95-1

2-Cyanoethyl benzoate is a nucleophilic reagent that can be used for the synthesis of polypeptides. It acts as an acyl transfer agent and is used in the immobilization of proteins on solid supports, such as acrylonitrile or cellulose. 2-Cyanoethyl benzoate has been shown to have anti-inflammatory properties, which may be due to its inhibition of prostaglandin synthesis. The mechanism may involve inhibition of cyclooxygenase and lipoxygenase enzymes by blocking the conversion of arachidonic acid to prostaglandins and leukotrienes. This reagent also has been shown to have antipsychotic effects, which are likely due to its antagonistic effects against dopamine receptors in the brain.

Formula: C₁₀H₉NO₂

Purity: Min. 95%

Molecular weight: 175.18 g/mol

Ref: 3D-FAA32595