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Triethyl 3-methyl-4-phosphono-2-butenoate

CAS 41891-54-7C11H21O5PChemical Synthesis

Triethyl 3-methyl-4-phosphono-2-butenoate (CAS 41891-54-7, C11H21O5P) is a versatile organophosphorus compound with a molecular weight of 264.26. It serves as a valuable reagent in organic synthesis, particularly for C-C bond formation. Its structure makes it suitable for olefination reactions, often employed within the framework of the Horner-Wadsworth-Emmons reaction to construct carbon-carbon double bonds in a controlled manner. Primarily used in chemical synthesis and research laboratories.

IUPAC
Triethyl 4-phosphonosenecioate
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Triethyl 3-methyl-4-phosphono-2-butenoate (C11H21O5P) — chemical structure, CAS 41891-54-7; Chemistry, fine chemical supplied by Tech Serve Solutions
C-C Bond FormationChemical SynthesisOlefinationSynthetic Reagents
01 /Applications

Horner-Wadsworth-Emmons Reagent

This compound is a key component in the Horner-Wadsworth-Emmons reaction, enabling the stereoselective synthesis of alkenes from carbonyl compounds. It facilitates the formation of carbon-carbon double bonds with high efficiency and control.

C-C Bond Formation

Its phosphonate ester functionality allows for participation in various carbon-carbon bond-forming strategies. It is instrumental in building more complex molecular architectures through nucleophilic addition and subsequent elimination pathways.

Olefination Reactions

The reagent is specifically designed for olefination, a process that converts carbonyl groups into alkenes. This capability is crucial in multi-step syntheses across different chemical disciplines.

Chemical Synthesis Intermediate

Used as a building block or intermediate in the synthesis of various organic molecules, including potential pharmaceutical intermediates and fine chemicals. Its reactivity profile is well-suited for research and development purposes.

02 /Properties
Molecular weight264.26
Empirical formulaC11H21O5P
Assay~85% (GC)
Boiling point284-287 °C(lit.)
Density1.07 g/mL at 20 °C(lit.)
Refractive indexn20/D 1.46
Storage temperature2-8°C
03 /Safety & handling
Protective equipmentEyeshields, Gloves
Flash point113 °C / 235.4 °F
Water hazard class (WGK, DE)3

Hazard information is provided for guidance. Always consult the product Safety Data Sheet (SDS), available on request, before handling.

04 /Identifiers & registry
CAS number
41891-54-7
MDL number
MFCD00075151
PubChem substance
24885847
Beilstein registry
2417880
05 /Quality & supply

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.

06 /Frequently asked questions

What is Triethyl 3-methyl-4-phosphono-2-butenoate used for?

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Triethyl 3-methyl-4-phosphono-2-butenoate is primarily used as a reagent in organic synthesis, specifically for C-C bond formation and olefination reactions, often in the context of the Horner-Wadsworth-Emmons reaction to create alkenes.

What are the CAS number and formula for Triethyl 3-methyl-4-phosphono-2-butenoate?

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The CAS number is 41891-54-7, and the empirical formula is C11H21O5P.

What grade and purity does Tech Serve Solutions supply?

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Tech Serve Solutions supplies Triethyl 3-methyl-4-phosphono-2-butenoate with an assay of approximately 85% (GC). This is a technical or research grade, and TSS does not represent it as USP, BP, or EP.

What are the safety and handling precautions for this chemical?

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This compound requires the use of eyeshields and gloves. It has a flash point of 113 °C (235.4 °F) and is classified under WGK Germany 3, indicating it is hazardous to water. Store at 2-8°C.

How is Triethyl 3-methyl-4-phosphono-2-butenoate packed, shipped, and exported?

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Tech Serve Solutions professionally packs, handles, and exports chemicals globally, adhering to all relevant shipping and safety regulations to ensure product integrity and compliance.

How can I request a sample or a quote for this product?

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To request a sample or a quote for Triethyl 3-methyl-4-phosphono-2-butenoate, please contact our sales team through the provided channels on the Tech Serve Solutions website.

Need Triethyl 3-methyl-4-phosphono-2-butenoate in a specific grade or volume?