420-87-1

Basic information

• Product Name: sodium 2,2,2-trifluoroethanolate
• Synonyms: sodium 2,2,2-trifluoroethanolate;2,2,2-Trifluoroethoxysodium;Sodium-2,2,2-trifluoroethaneolate;Sodium trifluoroethylate
• CAS NO: 420-87-1
• Molecular Formula: C₂H₂F₃NaO
• Molecular Weight: 122.0216596
• EINECS: 206-998-6
• Mol File: 420-87-1.mol
• Article Data: 15

Chemical Properties

• Boiling Point: 74°Cat760mmHg
• Flash Point: 29.4°C
• Appearance: /
• Density: g/cm³
• Vapor Pressure: 77.3mmHg at 25°C
• CAS DataBase Reference: sodium 2,2,2-trifluoroethanolate(CAS DataBase Reference)
• NIST Chemistry Reference: sodium 2,2,2-trifluoroethanolate(420-87-1)
• EPA Substance Registry System: sodium 2,2,2-trifluoroethanolate(420-87-1)

Safety Data

• Hazardous Substances Data: 420-87-1(Hazardous Substances Data)

Usage

General Description

Sodium 2,2,2-trifluoroethanolate is a chemical compound consisting of sodium and the organic molecule 2,2,2-trifluoroethanol. It is commonly used as a reagent in organic synthesis, particularly in the production of pharmaceuticals and agrochemicals. The compound is highly reactive and can easily undergo various chemical reactions, such as nucleophilic substitution and dehydration. It is also known for its ability to act as a catalyst in certain reactions, making it an important component in the field of organic chemistry. However, it is important to handle and store sodium 2,2,2-trifluoroethanolate carefully, as it is corrosive and can cause severe skin and eye irritation if not properly handled.

InChI:InChI=1/C2H2F3O.Na/c3-2(4,5)1-6;/h1H2;/q-1;+1

Upstream product

• 75-89-8 2,2,2-trifluoroethanol 
• 7646-69-7 sodium hydride 
• 855719-15-2 trifluoroethanol 
• 100-46-9 benzylamine 

Downstream Products

• 60556-93-6 2,2,4,4,6-Pentakis-(4-nitro-phenoxy)-6-(2,2,2-trifluoro-ethoxy)-2λ⁵,4λ⁵,6λ⁵-[1,3,5,2,4,6]triazatriphosphinine 
• 1065-05-0 hexakis(2,2,2-trifluoroethoxy)cyclotriphosphazene 
• 74010-49-4 (Z)-2-Acetylamino-3-phenyl-acrylic acid 2,2,2-trifluoro-ethyl ester 
• 80071-55-2 7,7,7-trifluoro-1-phenyl-5-oxa-2-thiaheptane 
• 83190-03-8 2-chloro-4-nitro-1-(2,2,2-trifluoroethoxy)benzene 
• 84328-69-8 5-nitro-2-(2,2,2-trifluoroethoxy)benzonitrile 
• 96308-27-9 2-(2,2,2-trifluoroethoxy)fluorobenzene 
• 93624-57-8 2,6-di-2',2',2'-trifluoroethoxybenzonitrile 
• 93624-59-0 3-chloro-6-2',2',2'-trifluoroethoxybenzonitrile 
• 87014-31-1 4-(2,2,2-Trifluoroethoxy)phenyl 4-chlorophenyl sulfone 
• 87014-32-2 Bis sulfone 
• 81098-47-7 2-methyl-2-prop-2-enyl-4,4,6,6-tetrakis(2,2,2-trifluoroethoxy)-1,3,5-triaza-2??5,4??5,6??5-triphosphacyclohexa-1,3,5-triene 
• 130286-03-2 C₁₈H₁₈F₆O₄Se 
• 81098-36-4 2-Phenyl-2,4,4,6,6-pentakis-(2,2,2-trifluoro-ethoxy)-2λ⁵,4λ⁵,6λ⁵-[1,3,5,2,4,6]triazatriphosphinine 

Relevant articles and documents

Rate constants for hydrogen abstraction from alkoxides by a perfluoroalkyl radical. An oxyanion accelerated process

A combination of laser flash photolysis and competitive kinetic methods has been used to measure the absolute bimolecular rate constants for hydrogen atom abstraction in water from a series of fluorinated alkoxides and aldehyde hydrates by the perfluoroalkyl radical, CF2CF2OCF 2CF2SO3-Na+. The bimolecular rate constants observed for the β-fluorinated alkoxides were in the 105 M-1 s-1 range, such rates representing enhancements (relative to the respective alcohols) of between 100 and almost 1000-fold, depending on the reactivity of the alkoxide. Likewise, the monobasic sodium salts of chloral and fluoral hydrate exhibit similar rate enhancements, relative to their respective hydrates.

BORON CONTAINING COMPOUNDS AND THEIR USES

The present disclosure contemplates novel boron-containing compounds and their uses as active agents that exhibit pesticidal activity such as antimicrobial, insecticidal, arachnicidal, and/or anti parasitic activity. An agrochemical composition containing such a compound and its use in, animal health, agriculture, or horticulture is also contemplated. A method for promoting plant performance and/or controlling, reducing, preventing, ameliorating, or inhibiting microbes, insects, arachnids, and/or parasites on or in an animal, a plant, a plant part, plant propagation material, and/or harvested fruits or vegetables is also contemplated.

Neutral sphingomyelinase 2 inhibitors based on the 4-(1H-imidazol-2-yl)-2,6-dialkoxyphenol scaffold

Neutral sphingomyelinase 2 (nSMase2), a key enzyme in ceramide biosynthesis, is a new therapeutic target for the treatment of neurological disorders and cancer. Using 2,6-dimethoxy-4-[4-phenyl-5-(2-thienyl)-1H-imidazol-2-yl]phenol (DPTIP), our initial hit compound (IC50 = 30 nM) from nSMase2 screening efforts, as a molecular template, a series of 4-(1H-imidazol-2-yl)-2,6-dialkoxyphenol derivatives were designed, synthesized, and evaluated. Systematic examination of various regions of DPTIP identified the key pharmacophore required for potent nSMase2 inhibition as well as a number of compounds with the 4-(1H-imidazol-2-yl)-2,6-dialkoxyphenol scaffold with similar or higher inhibitory potency against nSMase2 as compared to DPTIP. Among them, 4-(4,5-diisopropyl-1H-imidazol-2-yl)-2,6-dimethoxyphenol (25b) was found to be metabolically stable against P450 metabolism in liver microsomes and displayed higher plasma exposure following oral administration as compared to DPTIP. Analysis of plasma samples identified an O-glucuronide as the major metabolite. Blockade of the phase II metabolism should further facilitate our efforts to identify potent nSMase2 inhibitors with desirable ADME properties.