Description

[1-Isothiocyanato-2-[4-(Trimethylsiloxy)Phenyl]Ethyl]Phosphonic Acid Bis(Trimethylsilyl) Ester is a sophisticated organosilicon reagent featuring a unique combination of phosphonic acid ester and isothiocyanate functional groups, protected by trimethylsilyl moieties. This compound is engineered to serve as a critical building block in advanced organic synthesis, offering enhanced stability and reactivity for the controlled introduction of functionalized phosphonate and thiourea linkages. It is primarily sought by research and development teams in the pharmaceutical, agrochemical, and specialty materials sectors for constructing complex molecular architectures, including potential drug candidates, ligands, and functional polymers.

Application

• Pharmaceutical Intermediate: A key synthon for the development of novel active pharmaceutical ingredients (APIs), particularly those targeting kinase inhibition or requiring phosphonate bioisosteres.
• Agrochemical Synthesis: Used in the research and production of advanced herbicides, fungicides, and plant growth regulators where the phosphonate group modulates activity and bioavailability.
• Ligand and Catalyst Development: Serves as a precursor for creating specialized phosphonate- and thiourea-based ligands used in asymmetric catalysis and metal complexation.
• Surface Modification Agent: Employed to functionalize silica, glass, or other oxide surfaces, imparting specific chemical properties for chromatography, sensors, or composite materials.
• Polymer and Material Science: Incorporated as a monomer or cross-linking agent to develop specialty polymers with tailored thermal, mechanical, or adhesion properties.
• Chemical Biology Probe Synthesis: Utilized to create activity-based probes or affinity labels for studying enzyme function and protein interactions.

Basic Information

Product Name	[1-Isothiocyanato-2-[4-(Trimethylsiloxy)Phenyl]Ethyl]Phosphonic Acid Bis(Trimethylsilyl) Ester
CAS No.	56196-77-1
Molecular Formula	C17H32NO4PSi3
Molecular Weight	453.75 g/mol
Synonyms	(1-Isothiocyanato-2-{4-[(trimethylsilyl)oxy]phenyl}ethyl)phosphonic Acid Bis(trimethylsilyl) Ester; Phosphonic Acid, [1-isothiocyanato-2-[4-(trimethylsiloxy)phenyl]ethyl]-, bis(trimethylsilyl) ester; Bis(trimethylsilyl) [1-isothiocyanato-2-(4-trimethylsiloxyphenyl)ethyl]phosphonate; [1-Isothiocyanato-2-(4-trimethylsiloxyphenyl)ethyl]phosphonic Acid Bis-TMS Ester; TMS-Protected Isothiocyanato Phosphonate Ester; 56196-77-1; Contact for EINECS details.

Quality Control

Every batch of [1-Isothiocyanato-2-[4-(Trimethylsiloxy)Phenyl]Ethyl]Phosphonic Acid Bis(Trimethylsilyl) Ester is manufactured and analyzed under strict quality management protocols to ensure consistency and purity for research and development applications. Our products undergo rigorous quality testing, including advanced chromatographic and spectroscopic methods, to ensure compliance with exacting standards. A comprehensive Certificate of Analysis (COA) detailing identity, purity, and impurity profiles is provided with each shipment and is available upon request.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (typically 15-25°C). Due to its hygroscopic (moisture-sensitive) nature, the container must be kept tightly sealed under an inert atmosphere (e.g., nitrogen or argon) after opening to prevent degradation. Keep away from strong bases and incompatible materials.

Specification

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

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