54094-19-8

Basic information

• Product Name: Dimethyl [2-oxo-3-[3-(trifluoromethyl)phenoxy]propyl]phosphonate
• Synonyms: [2-oxo-3-(3-trifluoromethyl-phenoxy)-propyl]-phosphonic;Dimethyl{2-oxo-3-[3-(trifluoromethyl)phenoxy]propyl}phosphonate;[2-oxo-3-(3-trifluoromethyl-phenoxy)-propyl]-phosphonic acid dimethyl ester;[2-oxo-3-(3-trifluoromethyl-phenoxy)-propyl]-phosphonic acid dimethyl ester, 95 %;diMethyl 3-(3-(trifluoroMethyl)phenoxy)-2-oxopropylphosphonate;(trifluoromethyl)phenoxy]propyl]phosphonate;TVP
• CAS NO: 54094-19-8
• Molecular Formula: C₁₂H₁₄F₃O₅P
• Molecular Weight: 326.21
• Mol File: 54094-19-8.mol
• Article Data: 8

Chemical Properties

• Boiling Point: 378.6°Cat760mmHg
• Flash Point: 182.8°C
• Appearance: /
• Density: 1.32g/cm³
• Refractive Index: 1.4730-1.4770
• Storage Temp.: Refrigerator, Under inert atmosphere
• Solubility: Chloroform (Slightly), DMSO (Slightly)
• CAS DataBase Reference: Dimethyl [2-oxo-3-[3-(trifluoromethyl)phenoxy]propyl]phosphonate(CAS DataBase Reference)
• NIST Chemistry Reference: Dimethyl [2-oxo-3-[3-(trifluoromethyl)phenoxy]propyl]phosphonate(54094-19-8)
• EPA Substance Registry System: Dimethyl [2-oxo-3-[3-(trifluoromethyl)phenoxy]propyl]phosphonate(54094-19-8)

Safety Data

• Hazard Codes: Xi
• Hazardous Substances Data: 54094-19-8(Hazardous Substances Data)

Usage

Description

Dimethyl [2-oxo-3-[3-(trifluoromethyl)phenoxy]propyl]phosphonate is a complex organic compound characterized by its unique molecular structure. It is a derivative of phosphonate esters, which are known for their diverse applications in various industries due to their versatile chemical properties.

Uses

Used in Pharmaceutical Industry:
Dimethyl [2-oxo-3-[3-(trifluoromethyl)phenoxy]propyl]phosphonate is used as an intermediate in the synthesis of β-Carbonyl Phosphates for the development of pharmaceutical compounds. These β-Carbonyl Phosphates are essential building blocks in the creation of various drugs, particularly those targeting metabolic disorders and other diseases.
Used in Chemical Research:
In the field of chemical research, Dimethyl [2-oxo-3-[3-(trifluoromethyl)phenoxy]propyl]phosphonate serves as a valuable compound for studying the reactivity and properties of phosphonate esters. Its unique structure allows researchers to explore new reaction pathways and develop innovative synthetic methods for creating novel molecules with potential applications in various industries.
Used in Material Science:
Dimethyl [2-oxo-3-[3-(trifluoromethyl)phenoxy]propyl]phosphonate may also find applications in material science, particularly in the development of new materials with specific properties. Its incorporation into polymers or other materials could potentially enhance their performance, such as improving their thermal stability, mechanical strength, or chemical resistance.

Upstream product

• 22897-99-0 ethyl (3-trifluoromethylphenoxy)acetate 
• 756-79-6 dimethyl methane phosphonate 
• 585-45-5 2-((3-(trifluoromethyl)phenoxy)methyl)oxirane 
• 588-26-1 methyl 2-[3-(trifluoromethyl)phenoxy]acetate 
• 98-17-9 3-Trifluoromethylphenol 

Downstream Products

• 114488-91-4 [1,1'-biphenyl]-4-carboxylic acid (3aR,4R,5R,6aS)-hexahydro-4-[(1E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl]-2-oxo-2H-cyclopenta[b]furan-5-yl ester 
• 1204185-88-5 (3aR,4R,5R,6aS)-hexahydro-4-[(1E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl]-2H-cyclopenta[b]furan-2,5-diol 
• 1444103-94-9 [1,1'-biphenyl]-4-carboxylic acid (3aR,4R,5R,6aS)-hexahydro-4-[(1E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl]-2-hydroxy-2H-cyclopenta[b]furan-5-yl ester 
• 1444103-96-1 [1,1'-biphenyl]-4-carboxylic acid (3aR,4R,5R,6aS)-hexahydro-4-[(1E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl]-2-hydroxy-2H-cyclopenta[b]furan-5-yl ester 
• 54142-64-2 [1,1'-biphenyl]-4-carboxylic acid (3aR,4R,5R,6aS)-hexahydro-2-oxo-4-[(1E)-3-oxo-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl]-2H-cyclopenta[b]furan-5-yl ester 
• 340181-93-3 travoprost 
• 1240483-25-3 C₃₀H₄₉F₃O₅Si₂ 
• 1240483-24-2 (3aR,4R,5R,6aS)-5-((tert-butyldimethylsilyl)oxy)-4-((R,E)-3-((tert-butyldimethylsilyl)oxy)-4-(3-(trifluoromethyl)-phenoxy)but-1-en-1-yl)hexahydro-2H-cyclopenta[b]furan-2-one 
• 1240483-28-6 C₂₄H₃₃F₃O₅Si 
• 54276-17-4 (+)-fluprostenol 
• 1240483-27-5 C₂₄H₃₁F₃O₅Si 
• 114488-92-5 (3aR,4R,5R,6aS)-4-((S,E)-3-hydroxy-4-(3-(trifluoromethyl)phenoxy)but-1-enyl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl biphenyl-4-carboxylate 
• 208180-17-0 (3aR,4R,5R,6aS)-5-((tetrahydro-2H-pyran-2-yl)oxy)-4-((3R,E)-3-((tetrahydro-2H-pyran-2-yl)oxy)-4-(3-(trifluoromethyl)phenoxy)but-1-en-1-yl)hexahydro-2H-cyclopenta[b]furan-2-one 

Relevant articles and documents

Preparation method of beta-carboxyl phosphate

The invention provides a preparation method of beta-carboxyl phosphate. The preparation method comprises the following steps: carrying out regional selective ring-opening reaction on an epoxy compound and trialkyl phosphite to generate beta-carboxyl phosphate intermediate; and then oxidizing the beta-carboxyl phosphate intermediate to obtain the beta-carboxyl phosphate. The method is gentle in reaction condition and simple and convenient to operate without protection of an anhydrous solvent and oxygen, and is suitable for large-scale production. The beta-carboxyl phosphate synthesized by the preparation method can be used as an important intermediate synthesized by various misoprostols, such as travoprost, bimatoprost and tafluprost.

Synthesis of (±) travoprost and its analogs

A new synthetic approach for the antiglaucoma agent, travoprost (1) has been developed in four steps from key intermediate (2). Key transformations include Horner-Wadsworth-Emmons reaction and separation of diastereomers to obtain (±) travoprost (1) and its analogs.

Process for the preparation of prostaglandin derivatives

The invention provides a novel process for the preparation of prostaglandins and analogues thereof, and new crystalline intermediates in the process.