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Diethyl (4-cyanobenzyl)phosphonate(CAS: 1552-41-6)

Diethyl (4-cyanobenzyl)phosphonate
CAS Number

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Basic Information

Molecular Formula
C12H16NO3P
Molecular Weight
253.23 g/mol

Physical Properties

Melting Point
31°C(lit.)
Boiling Point
169°C(lit.)

Chemical Identifiers

SMILES
CCOP(=O)(CC1=CC=C(C=C1)C#N)OCC
InChIKey
MFXWOYIWKNJHPC-UHFFFAOYSA-N

Database References

MDL Number
MFCD08274488

FAQ

Diethyl (4-cyanobenzyl)phosphonate is a crystalline compound with a molecular weight of approximately 234.24 g/mol. It has a high solubility in organic solvents like methanol and acetone but is sparingly soluble in water. The compound is known for its reactivity, particularly in nucleophilic substitution reactions. It is often used as an intermediate in organic synthesis due to its ability to participate in various chemical transformations.
Diethyl (4-cyanobenzyl)phosphonate is typically synthesized via a multistep process. A common route involves the reaction of phosphorus oxychloride with 4-cyanobenzyl alcohol, followed by the addition of diethylamine. This process requires careful control of temperature and the use of appropriate catalysts to achieve high selectivity and yield. The exact details of the synthesis can vary depending on the specific conditions and intermediates used.
Diethyl (4-cyanobenzyl)phosphonate (CAS: 1552-41-6) is primarily used in the pharmaceutical industry for the synthesis of certain drug candidates. It also finds applications in the polymer industry for the development of advanced materials. Additionally, it is used in the electronics industry for the fabrication of semiconductors and in the chemical industry for various organic synthesis processes.
When handling Diethyl (4-cyanobenzyl)phosphonate (CAS: 1552-41-6), it is essential to follow strict safety protocols. Always wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work in a well-ventilated area or a fume hood to minimize exposure. In case of a spill, immediately clean it up using appropriate absorbent materials and dispose of them according to local regulations. Refer to the Safety Data Sheet (SDS) for detailed emergency procedures and additional safety information.

Safety Notice

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