Description

Methyl 3,3,3-trifluoro-2-hydroxy-2-trifluoromethylpropionate (CAS No. 7594-51-6) is a high-purity fluorinated ester compound with the molecular formula C₅H₄F₆O₃. This specialty chemical is characterized by its unique trifluoromethyl and hydroxyl functional groups, making it a valuable intermediate in synthetic organic chemistry and materials science. It is supplied as a clear, colorless to pale-yellow liquid with stringent quality controls to ensure consistency for research and industrial applications.

Our product is rigorously tested for purity (typically ≥95% by GC) and is packaged under inert conditions to maintain stability. Ideal for use in pharmaceutical synthesis, agrochemical development, and advanced material design, this compound offers exceptional reactivity due to its electron-withdrawing fluorinated groups. Researchers will appreciate its role in facilitating nucleophilic substitutions and as a building block for complex fluorinated architectures.

Key Synonyms: Methyl 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate; 2-Hydroxy-2-trifluoromethyl-3,3,3-trifluoropropionic Acid Methyl Ester.

Properties

• CAS Number: 7594-51-6
• Complexity: 215
• IUPAC Name: methyl 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate
• InChI: InChI=1S/C5H4F6O3/c1-14-2(12)3(13,4(6,7)8)5(9,10)11/h13H,1H3
• InChI Key: GZNNMGJAIPPJBM-UHFFFAOYSA-N
• Exact Mass: 226.00646296
• Molecular Formula: C5H4F6O3
• Molecular Weight: 226.07
• SMILES: COC(=O)C(C(F)(F)F)(C(F)(F)F)O
• Topological: 46.5
• Monoisotopic Mass: 226.00646296
• Synonyms: 7594-51-6, methyl 3,3,3-trifluoro-2-hydroxy-2-trifluoromethylpropionate, Methyl 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate, 2-Hydroxy-2-trifluoromethyl-3,3,3-trifluoropropionic Acid Methyl Ester;, starbld0009937, SCHEMBL867202, MFCD01117336, SY382991, G73863, methyl 2-hydroxy-3,3,3-trifluoro-2-trifluoromethylpropionate, 2-hydroxy-3,3,3-trifluoro-2-trifluoromethylpropionic acid methyl ester

Application

This fluorinated ester serves as a critical intermediate in the synthesis of pharmaceuticals, particularly for introducing trifluoromethyl groups into target molecules to enhance metabolic stability. Its reactive hydroxyl and ester functionalities enable facile derivatization for agrochemical applications, such as developing novel herbicides with improved efficacy. Additionally, it finds utility in materials science for creating fluorinated polymers with enhanced thermal and chemical resistance.

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