Diethyl (ethylthiomethyl)phosphonate
Diethyl (ethylthiomethyl)phosphonate (CAS 54091-78-0) is an organophosphorus compound with the formula C2H5SCH2P(O)(OC2H5)2 and a molecular weight of 212.25 g/mol. Supplied by Tech Serve Solutions at 97% purity, this reagent is primarily utilised in organic synthesis for C-C bond formation and olefination reactions. It serves as a valuable building block in the preparation of various heterocyclic compounds with potential biological activities.
- IUPAC
- NSC 140826
Synthesis of Heterocyclic Compounds
This phosphonate ester acts as a key reactant in the preparation of spiro and fused N,O-heterocyclic phosphonate esters, which have demonstrated antibacterial and antifungal properties. It also facilitates the synthesis of spiro-substituted pyrimidine phosphonate esters investigated for antitumor activity.
Horner-Wadsworth-Emmons Reactions
Diethyl (ethylthiomethyl)phosphonate is employed in stereoselective Horner-Wadsworth-Emmons reactions. This application is crucial for the controlled synthesis of alkenes, enabling efficient carbon-carbon bond formation in complex organic molecules.
General Chemical Synthesis
As a versatile synthetic reagent, it is broadly applicable in chemical synthesis, contributing to the construction of diverse molecular architectures. Its utility spans various organic transformations requiring phosphonate functionalities.
| Molecular weight | 212.25 |
|---|---|
| Linear formula | C2H5SCH2P(O)(OC2H5)2 |
| Assay | 97% |
| Density | 1.097 g/mL at 25 °C(lit.) |
| Refractive index | n20/D 1.464(lit.) |
| Application | Reactant for:• Preparation of spiro and fused N,O-heterocyclic phosphonate esters as antibacterial and antifungal agents1• Preparation of spiro-substituted pyrimidine phosphonate esters as antitumor agents2• Stereoselective Horner-Wadsworth-Emmons reactions3 |
Hazard statements
- H315Causes skin irritation
- H319Causes serious eye irritation
- H335May cause respiratory irritation
Precautionary statements
- P261Avoid breathing dust, fume, gas or vapours
- P305IF IN EYES
| Protective equipment | Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter |
|---|---|
| Flash point | 113 °C / 235.4 °F |
| Transport (UN / ADR) | UN 3334 |
| Water hazard class (WGK, DE) | 3 |
| Hazard codes (EU) | Xi |
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 26-37/39 |
Hazard information is provided for guidance. Always consult the product Safety Data Sheet (SDS), available on request, before handling.
Documentation
Every batch ships with a Certificate of Analysis covering assay, identity and purity; the grade is confirmed against your enquiry. Safety Data Sheets and technical data sheets are available on request.
Supply & logistics
Samples for technical evaluation; bulk MOQ by grade and packaging. In-stock material ships in 7–10 working days, worldwide, with full export documentation.
What is Diethyl (ethylthiomethyl)phosphonate used for?
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Diethyl (ethylthiomethyl)phosphonate is used as a reactant in organic synthesis, particularly for C-C bond formation and olefination reactions like the Horner-Wadsworth-Emmons reaction. It is also a precursor for synthesizing heterocyclic compounds with potential antibacterial, antifungal, and antitumor activities.
What are the CAS number and formula for Diethyl (ethylthiomethyl)phosphonate?
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The CAS number for Diethyl (ethylthiomethyl)phosphonate is 54091-78-0, and its chemical formula is C2H5SCH2P(O)(OC2H5)2.
What grade and purity does Tech Serve Solutions supply?
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Tech Serve Solutions supplies Diethyl (ethylthiomethyl)phosphonate with an assay of 97%. This is a technical/research grade material, and TSS does not represent it as meeting USP, BP, or EP pharmacopoeia standards.
How should Diethyl (ethylthiomethyl)phosphonate be handled safely?
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Diethyl (ethylthiomethyl)phosphonate is classified with a Warning signal word and carries H315 (causes skin irritation), H319 (causes serious eye irritation), and H335 (may cause respiratory irritation) hazard statements. Appropriate personal protective equipment, including eyeshields and gloves, is essential. Ensure adequate ventilation and use approved respirator filters (e.g., ABEK type) when handling.
Is Diethyl (ethylthiomethyl)phosphonate a controlled substance?
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The provided data does not indicate that Diethyl (ethylthiomethyl)phosphonate (CAS 54091-78-0) is a controlled substance.
How is Diethyl (ethylthiomethyl)phosphonate packed, shipped, and exported?
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Tech Serve Solutions packs, ships, and exports fine chemicals globally, adhering to international regulations for chemical transport. Specific packaging details are available upon request and depend on order quantity and destination.
How can I request a sample or quote for Diethyl (ethylthiomethyl)phosphonate?
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To request a sample or a quote for Diethyl (ethylthiomethyl)phosphonate, please contact the Tech Serve Solutions sales team via our website or direct inquiry channels, providing your contact information and desired quantity.
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