Description

P,p-Diethyl trans-4-Phosphono-2-Butenoate is a specialized organophosphorus compound featuring a phosphonate ester group conjugated with an α,β-unsaturated ester. This unique structure makes it a valuable versatile building block and intermediate in advanced organic synthesis. It is primarily sought after by pharmaceutical, agrochemical, and specialty chemical R&D teams for the development of novel active ingredients and functional materials.

Application

• Pharmaceutical Intermediate: Key precursor in the synthesis of novel drug candidates, particularly those targeting enzyme inhibition.
• Agrochemical Synthesis: Used as a building block for creating advanced herbicides, fungicides, and plant growth regulators.
• Ligand and Catalyst Development: Serves as a starting material for synthesizing phosphonate-based ligands for metal catalysis.
• Material Science Research: Employed in the development of flame retardants, polymer modifiers, and specialty surfactants.
• Chemical Biology Probes: Useful for constructing activity-based probes to study phosphonate-related biochemical pathways.
• Cross-Coupling Reactions: Acts as a substrate in Horner-Wadsworth-Emmons and other olefination reactions to form complex alkenes.

Basic Information

Product Name	P,p-Diethyl trans-4-Phosphono-2-Butenoate
CAS No.	79563-56-7
Molecular Formula	C8H15O5P
Molecular Weight	222.18 g/mol
Synonyms	Diethyl (E)-4-phosphonobut-2-enoate; trans-Diethyl 4-phosphonocrotonate; (E)-Diethyl 4-phosphonobut-2-enoate; Diethyl (2E)-4-phosphono-2-butenoate; 2-Butenoic acid, 4-phosphono-, diethyl ester, (2E)-; 4-Phosphonocrotonic acid diethyl ester; P,P-Diethyl 4-phosphonocrotonate
EINECS	Contact for details

Quality Control

Our P,p-Diethyl trans-4-Phosphono-2-Butenoate is produced under strict quality management protocols. Every batch undergoes comprehensive analytical testing, including HPLC, NMR, and IR spectroscopy, to ensure high chemical purity and structural integrity. We provide a detailed Certificate of Analysis (COA) with each shipment, confirming compliance with agreed specifications. For custom synthesis or specific grade requirements (e.g., >98% purity), our technical team is available to discuss tailored quality assurance parameters.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at a controlled room temperature (15-25°C). Due to its hygroscopic (moisture-sensitive) nature, the container must be kept tightly sealed after opening to prevent degradation from atmospheric moisture. Keep away from incompatible materials such as strong oxidizing agents.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 95.0%
Isomeric Purity (trans-isomer)	≥ 98.0%
Water Content (KF)	≤ 0.5%

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.