CAS 1240562-50-8

4-[3-(3-Oxo-1-buten-1-yl)phenoxy]butanenitrile

Description:

4-[3-(3-Oxo-1-buten-1-yl)phenoxy]butanenitrile, identified by its CAS number 1240562-50-8, is a chemical compound characterized by its unique structural features. It contains a butanenitrile moiety, which contributes to its potential as a nitrile compound, known for their reactivity and utility in organic synthesis. The presence of a phenoxy group indicates that it has aromatic characteristics, which can influence its chemical behavior and interactions. The 3-oxo-1-buten-1-yl substituent suggests that the compound may exhibit reactivity typical of α,β-unsaturated carbonyl compounds, potentially allowing for various addition reactions. This compound may be of interest in medicinal chemistry or materials science due to its functional groups, which can participate in further chemical transformations. Additionally, the presence of both aromatic and aliphatic components in its structure may impart unique physical properties, such as solubility and stability, making it a candidate for various applications in research and industry. However, specific properties such as melting point, boiling point, and solubility would require empirical data for precise characterization.

Formula: C₁₄H₁₅NO₂

InChI: InChI=1S/C14H15NO2/c1-12(16)7-8-13-5-4-6-14(11-13)17-10-3-2-9-15/h4-8,11H,2-3,10H2,1H3

InChI key: InChIKey=SRIMEUFTMMZFPF-UHFFFAOYSA-N

SMILES: O(CCCC#N)C1=CC(C=CC(C)=O)=CC=C1

Synonyms:

• Butanenitrile, 4-[3-(3-oxo-1-buten-1-yl)phenoxy]-
• 4-[3-(3-Oxo-1-buten-1-yl)phenoxy]butanenitrile

4-[3-(3-Oxobut-1-en-1-yl)phenoxy]butanenitrile

CAS: 1240562-50-8

Versatile small molecule scaffold

Formula: C₁₄H₁₅NO₂

Purity: Min. 95%

Molecular weight: 229.27 g/mol

Ref: 3D-QZB56250