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

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

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

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

Downstream Products

• 53872-60-9 (3aR,4R,5R,6aS)-5-hydroxy-4-[(1E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-en-1-yl]-hexahydro-2H-cyclopenta[b]furan-2-one 
• 208252-64-6 (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-ol 
• 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 
• 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 
• 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 
• 1240483-27-5 C₂₄H₃₁F₃O₅Si 
• 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 

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.

Novel method for preparing Prostaglandin derivatives

Provided is a novel method for preparing prostaglandin derivatives. The method is suitable for mass production by effectively manufacturing prostaglandin derivatives with high yield. The method comprises the following steps: (S-1) adding a first reducing agent to a prostaglandin intermediate compound represented by chemical formula II and manufacturing a compound represented by chemical formula III; (S-2) manufacturing a compound represented by chemical formula IV from the compound represented by chemical formula III in the presence of a base; (S-3) adding a second reducing agent to the compound represented by chemical formula IV and manufacturing a compound represented by chemical formula V; and (S-4) performing Wittig reaction of the compound represented by chemical formula V and a compound represented by chemical formula VI, and manufacturing a compound represented by chemical formula I.COPYRIGHT KIPO 2017

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 F-SERIES PROSTAGLANDINS

A process for the synthesis and purification of F-series prostaglandin compounds and synthetic intermediates used to prepare them. The synthetic intermediates are solid and may be purified by precipitation and therefore may form the representative F-series prostaglandin compounds such as latanoprost, bimatoprost, fluprostenol, cloprostenol, and substituted analogs therefrom in highly pure forms.

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.

16-Phenoxy and phenylthio prostaglandin derivatives

The present invention relates to compounds of the formula: STR1 wherein A represents a grouping of the formula: STR2 B represents an oxygen or sulphur atom, R1 and R2, which may be the same or different, each represent a hydrogen or halogen atom, a trifluoromethyl group, or a straight- or branched-chain alkyl or alkoxy group containing from 1 to 4 carbon atoms, R represents a group of the formula --COOR3, in which R3 represents a hydrogen atom or a straight- or branched-chain alkyl group containing from 1 to 12 carbon atoms, or a group of the formula --CH2 OR4, in which R4 represents a hydrogen atom or an alkylcarbonyl group containing from 2 to 5 carbon atoms and the double bonds depicted in positions C2 -C3, C5 -C6 and C13 -C14 are trans, cis and trans respectively, the cyclodextrin clathrates thereof and, when R3 in the group --COOR3 represents a hydrogen atom, non-toxic salts thereof. These compounds exhibit characteristics of prostaglandin-like activity.

Aldehyde derivatives of prostaglandins

Prostaglandin analogues of the formula:- SPC1 Wherein A represents a PGF or PGE grouping, X represents ethylene or cis-vinylene, Y represents ethylene or transvinylene, R1 represents hydrogen or alkyl of 1 to 4 carbon atoms, R2 represents alkyl of 1 to 10 carbon atoms, or alkyl of 1 to 4 carbon atoms substituted by phenyl or cycloalkyl containing from 5 to 7 carbon atoms, or R2 represents a grouping of the formula:- SPC2 Wherein R3 represents alkylene of 1 to 4 carbon atoms, R4 represents oxygen or sulphur or sulphinyl, and R5 and R6 represent hydrogen, halogen, trifluoromethyl, alkyl of 1 to 3 carbon atoms are new compounds possessing pharmacological properties.

16-Phenoxy and 16-substituted phenoxy-prostatrienoic acid derivatives

Novel racemic and 8R-antimeric 16-phenoxy- and 16-(o, m or p)-substituted phenoxy derivatives of 9α, 11α,15-trihydroxy-17,18,19,20-tetranorprosta-4,5,13-trans-trienoic acids, which may be further substituted at C-15 by a methyl or ethyl group, the pharmaceutically acceptable, non-toxic lower alkyl esters and salts thereof and processes for the production of such compounds. dl 9α,11α,15α-trihydroxy-16-m-trifluoromethylphenoxy-17,18,19,20-tetranorprosta-4,5,13-trans-trienoic acid and dl 9α,11α,15 -trihydroxy-15 -methyl-16-m-trifluoromethylphenoxy-17,18,19,20-tetranorprosta-4,5,13-trans-trienoic acid are representative compounds of the class. These compounds possess prostaglandin-like activities and thus are useful in the treatment of mammals where prostaglandins are indicated. They are particularly useful as luteolytic agents in female mammals.