(3-nitrophenyl)methyl 3-dimethoxyphosphoryloxybut-2-enoate

Identification

Molecular formula

C₁₅H₁₈NO₈P

CAS number

56776-21-3

IUPAC name

(3-nitrophenyl)methyl 3-dimethoxyphosphoryloxybut-2-enoate

State

At room temperature, (3-nitrophenyl)methyl 3-dimethoxyphosphoryloxybut-2-enoate is in a solid state, usually found in crystalline form.

Melting point (Celsius)

53.00

Melting point (Kelvin)

326.20

Boiling point (Celsius)

402.30

Boiling point (Kelvin)

675.40

General information

Molecular weight

371.29g/mol

Molar mass

371.2360g/mol

Density

1.3407g/cm³

Appearence

(3-nitrophenyl)methyl 3-dimethoxyphosphoryloxybut-2-enoate is typically available as a light yellow crystalline solid. It can be found in a diastereomeric mixture and is sensitive to moisture.

Comment on solubility

Solubility of (3-nitrophenyl)methyl 3-dimethoxyphosphoryloxybut-2-enoate

The solubility of (3-nitrophenyl)methyl 3-dimethoxyphosphoryloxybut-2-enoate is a complex subject, shaped by its unique molecular structure. Understanding its solubility characteristics can be pivotal for applications in pharmaceuticals and agrochemicals.

Polarity: The presence of nitro groups and methoxy groups in the molecule contributes to its overall polarity, affecting how well it dissolves in various solvents.
Solvent Compatibility: This compound is likely to show differing solubility in:

Polar solvents: such as water or methanol, where improved solubility may be observed due to hydrogen bonding.
Non-polar solvents: where solubility could be limited due to its polar functionalities.

Temperature Influence: As with many chemical compounds, solubility may increase with temperature, encouraging further research into its behavior under various thermal conditions.

In conclusion, while specific solubility data may still be needed, the interplay of molecular components and solvent interactions highlights the significance of conducting detailed solubility studies for (3-nitrophenyl)methyl 3-dimethoxyphosphoryloxybut-2-enoate.

Interesting facts

Interesting Facts about (3-nitrophenyl)methyl 3-dimethoxyphosphoryloxybut-2-enoate

(3-nitrophenyl)methyl 3-dimethoxyphosphoryloxybut-2-enoate is an intriguing chemical compound that showcases the fascinating interplay between organic chemistry and biochemistry. Here are some compelling points to consider:

Structural Complexity: The compound features a multi-functional structure consisting of a phenyl ring, a phosphate moiety, and an enol ester. This complexity makes it a useful model for studying chemical reactivity and ligand formation.
Biological Relevance: Compounds like this one are often explored for their potential as inhibitors in enzyme activity, particularly in the context of agricultural chemistry and pharmaceuticals. The nitrophenyl portion can enhance the biological interaction.
Chemical Versatility: The presence of the dimethoxyphosphoryloxy group plays a crucial role in facilitating nucleophilic substitutions. This versatility allows chemists to modify the compound for various applications in synthetic organic chemistry.
Synthetic Approaches: Understanding the synthesis of this compound can provide insights into advanced phosphonates, which are important in drug design and agrochemicals. Methods such as alkylation and phosphorylating reactions are often employed in its synthesis.
Fragmentation Patterns: In mass spectrometry, this compound exhibits specific fragmentation patterns, which can be a key analytical tool for identification and structural elucidation in research laboratories.

In conclusion, the study of (3-nitrophenyl)methyl 3-dimethoxyphosphoryloxybut-2-enoate not only deepens our understanding of complex organic compounds but also opens avenues for innovative applications in various fields, highlighting the importance of interdisciplinary research in chemistry.