Description

(1-Isothiocyanato-2-Phenylethyl)Phosphonic Acid Bis(Trimethylsilyl) Ester is a specialized organophosphorus compound featuring both isothiocyanate and silyl-protected phosphonic acid functional groups. This unique bifunctional structure makes it a versatile and valuable building block in advanced organic synthesis, particularly for the development of novel bioactive molecules and functional materials. It is primarily sought by research chemists and process development scientists in pharmaceutical, agrochemical, and materials science industries for constructing complex molecular architectures.

Application

• Pharmaceutical Intermediate: Key synthon for the development of novel drug candidates, particularly those targeting enzyme inhibition or incorporating phosphonate bioisosteres.
• Agrochemical Research: Used in the synthesis of advanced herbicides, fungicides, or plant growth regulators that leverage its unique phosphorus and sulfur-containing moiety.
• Ligand and Catalyst Precursor: Serves as a starting material for creating specialized phosphonate-based ligands for metal catalysis or organocatalysts.
• Peptide and Protein Modification: The reactive isothiocyanate group allows for selective conjugation with amines, useful in bioconjugation and probe development.
• Material Science Building Block: Employed in the synthesis of functionalized polymers, surfaces, or metal-organic frameworks (MOFs) with tailored properties.
• Chemical Biology Probe Synthesis: Facilitates the creation of activity-based probes for studying enzymatic processes or protein function.

Basic Information

Item	Details
Product Name	(1-Isothiocyanato-2-Phenylethyl)Phosphonic Acid Bis(Trimethylsilyl) Ester
CAS No.	55108-94-6
Molecular Formula	C15H26NO3PSi2
Molecular Weight	355.52 g/mol
Synonyms	Bis(trimethylsilyl) (1-isothiocyanato-2-phenylethyl)phosphonate; (1-Isothiocyanato-2-phenylethyl)phosphonic Acid Bis(trimethylsilyl) Ester; Phosphonic acid, (1-isothiocyanato-2-phenylethyl)-, bis(trimethylsilyl) ester; NSC 339063; (2-Isothiocyanato-1-phenylethyl)phosphonic Acid Bis(trimethylsilyl) Ester (tautomer)
EINECS	Contact for details

Quality Control

Our production of (1-Isothiocyanato-2-Phenylethyl)Phosphonic Acid Bis(Trimethylsilyl) Ester adheres to stringent internal quality protocols to ensure batch-to-batch consistency and high purity for research and development applications. Each lot is characterized using advanced analytical techniques including NMR (¹H, ¹³C, ³¹P), HPLC, and GC. A comprehensive Certificate of Analysis (COA) detailing identity, purity, and impurity profiles is provided with every shipment.

Storage

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

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 95% (Area %)
Water Content (KF)	≤ 0.5%

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