Description

(3,3-Dimethylbut-1-Ynyl)Phosphonic Acid Diethyl Ester is a specialized organophosphorus compound that serves as a versatile building block in advanced organic synthesis. Its value lies in its unique structure, featuring both a terminal alkyne and a phosphonate ester group, making it a key intermediate for constructing complex molecular architectures. This compound is primarily needed by R&D chemists and process development scientists in the pharmaceutical, agrochemical, and materials science industries for applications such as cross-coupling reactions and the synthesis of novel bioactive molecules.

Application

• Pharmaceutical Intermediate: A key synthon in the synthesis of active pharmaceutical ingredients (APIs), particularly for constructing complex alkyne-containing scaffolds.
• Agrochemical Synthesis: Used in the research and development of novel herbicides, fungicides, and plant growth regulators.
• Material Science Precursor: Serves as a monomer or functionalization agent in the development of specialty polymers and advanced materials.
• Cross-Coupling Reactions: Acts as a crucial partner in Sonogashira, Heck, and other palladium-catalyzed coupling reactions to form carbon-carbon bonds.
• Ligand and Catalyst Development: Utilized for the preparation of novel phosphonate-based ligands for catalysis and metal-organic frameworks (MOFs).
• Chemical Biology Probes: Employed in the synthesis of molecular probes and tags for studying biological processes via click chemistry methodologies.

Basic Information

Product Name	(3,3-Dimethylbut-1-Ynyl)Phosphonic Acid Diethyl Ester
CAS No.	40632-91-5
Molecular Formula	C10H19O3P
Molecular Weight	218.23 g/mol
Synonyms	Diethyl (3,3-Dimethyl-1-butyn-1-yl)phosphonate; Diethyl (3,3-Dimethylbut-1-yn-1-yl)phosphonate; (3,3-Dimethyl-1-butynyl)phosphonic Acid Diethyl Ester; Phosphonic Acid, (3,3-Dimethyl-1-butyn-1-yl)-, Diethyl Ester; tert-Butylethynylphosphonic Acid Diethyl Ester; 40632-91-5; EINECS 254-980-5
EINECS	254-980-5

Quality Control

Our (3,3-Dimethylbut-1-Ynyl)Phosphonic Acid Diethyl Ester is manufactured under strict quality management systems. Each batch undergoes rigorous analytical testing, including NMR, HPLC, and GC analysis, to ensure high purity and consistency. A comprehensive Certificate of Analysis (COA) detailing identity, purity, and impurity profiles is provided with every shipment to support your quality assurance and regulatory needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at room temperature (15-25°C). This product is hygroscopic (moisture-sensitive) and should be handled under an inert atmosphere or in a dry environment to prevent degradation.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Purity (GC)	≥ 97.0%
Water Content (KF)	≤ 0.5%

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