Atomfair 4-(Diethoxyphosphinyl)-2-methyl-2-butenoic acid ethyl ester C11H21O5P CAS 122009-11-4

Description

4-(Diethoxyphosphinyl)-2-methyl-2-butenoic acid ethyl ester (CAS No. 122009-11-4) is a high-purity organophosphorus compound with the molecular formula C₁₁H₂₁O₅P. This ester derivative is widely utilized in organic synthesis, pharmaceutical research, and agrochemical development due to its reactive phosphoryl and ester functional groups. Its IUPAC name, ethyl (E)-4-diethoxyphosphoryl-2-methylbut-2-enoate, reflects its precise structural configuration, ensuring consistency in research applications. The compound is supplied as a clear to pale-yellow liquid with ≥95% purity (GC), packaged under inert gas to maintain stability. Ideal for use in Horner-Wadsworth-Emmons reactions, Michael additions, and as a versatile building block for complex molecular frameworks. Store in a cool, dry place away from light and moisture to preserve its reactivity.

Properties

• CAS Number: 122009-11-4
• Complexity: 301
• IUPAC Name: ethyl (E)-4-diethoxyphosphoryl-2-methyl-but-2-enoate
• InChI: InChI=1S/C11H21O5P/c1-5-14-11(12)10(4)8-9-17(13,15-6-2)16-7-3/h8H,5-7,9H2,1-4H3/b10-8+
• InChI Key: UJTQBEHQOLXVAK-CSKARUKUSA-N
• Exact Mass: 264.11266076
• Molecular Formula: C11H21O5P
• Molecular Weight: 264.25
• SMILES: CCOC(=O)/C(=C/CP(=O)(OCC)OCC)/C
• Topological: 61.8
• Monoisotopic Mass: 264.11266076
• Synonyms: EC 601-818-6, 4-(diethoxyphosphinyl)-2-methyl-2-butenoic acid ethyl ester, 601-818-6, 2-Butenoic acid, 4-(diethoxyphosphinyl)-2-methyl-, ethyl ester, (2E)-, 122009-11-4, 161431-74-9, SCHEMBL8576108, (E)-4-(Diethoxy-phosphoryl)-2-methyl-but-2-enoic acid ethyl ester

Application

4-(Diethoxyphosphinyl)-2-methyl-2-butenoic acid ethyl ester serves as a key intermediate in the synthesis of α,β-unsaturated carbonyl compounds via Horner-Wadsworth-Emmons olefination. It is employed in pharmaceutical research for constructing bioactive molecules with potential therapeutic properties. Additionally, this ester is used in agrochemical formulations to develop novel pesticides and herbicides. Its phosphoryl group enhances reactivity in nucleophilic substitution reactions, making it valuable for cross-coupling methodologies.

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