321-37-9

Basic information

• Product Name: 4'-CHLORO-2,2,2-TRIFLUOROACETOPHENONE
• Synonyms: P-CHLORO-A,A,A-TRIFLUOROACETOPHENONE;OMEGA,OMEGA,OMEGA-TRIFLUORO-P-CHLORO ACETOPHENONE;1-(4-CHLOROPHENYL)-2,2,2-TRIFLUOROETHAN-1-ONE;1-(4-CHLOROPHENYL)-2,2,2-TRIFLUOROETHANONE;4'-CHLORO-2,2,2-TRIFLUOROACETOPHENONE;1-(4-chlorophenyl)-2,2,2-trifluoro-ethanon;4-chloro-alpha,alpha,alpha-trifluoro-acetophenone;Ethanone,1-(4-chlorophenyl)-2,2,2-trifluoro-
• CAS NO: 321-37-9
• Molecular Formula: C₈H₄ClF₃O
• Molecular Weight: 208.56
• EINECS: 206-286-5
• Product Categories: Building Blocks;C7 to C8;Carbonyl Compounds;Chemical Synthesis;Ketones;Organic Building Blocks;Fluorine series
• Mol File: 321-37-9.mol
• Article Data: 29

Chemical Properties

• Melting Point: 24-26 °C(lit.)
• Boiling Point: 180-183 °C(lit.)
• Flash Point: 174 °F
• Appearance: /
• Density: 1.398 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.127mmHg at 25°C
• Refractive Index: n20/D 1.489(lit.)
• Storage Temp.: Sealed in dry,Room Temperature
• BRN: 1955904
• CAS DataBase Reference: 4'-CHLORO-2,2,2-TRIFLUOROACETOPHENONE(CAS DataBase Reference)
• NIST Chemistry Reference: 4'-CHLORO-2,2,2-TRIFLUOROACETOPHENONE(321-37-9)
• EPA Substance Registry System: 4'-CHLORO-2,2,2-TRIFLUOROACETOPHENONE(321-37-9)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26
• WGK Germany: 3
• RTECS: AU7140000
• Hazardous Substances Data: 321-37-9(Hazardous Substances Data)

Usage

Description

4'-CHLORO-2,2,2-TRIFLUOROACETOPHENONE is an organic compound that forms a 1:2 complex with alpha-cyclodextrin. It is characterized by its unique molecular structure, which includes a chloro group at the 4' position and trifluoro substituents on the acetophenone moiety.

Uses

Used in Pharmaceutical Industry:
4'-CHLORO-2,2,2-TRIFLUOROACETOPHENONE is used as an intermediate in the synthesis of various pharmaceutical compounds for [application reason]. Its unique structure allows for the development of new drugs with potential therapeutic benefits.
Used in Chemical Research:
In the field of chemical research, 4'-CHLORO-2,2,2-TRIFLUOROACETOPHENONE serves as a valuable compound for studying the properties and reactivity of chloro and trifluoro-substituted aromatic ketones. This can lead to advancements in organic chemistry and the development of new synthetic methods.
Used in Material Science:
4'-CHLORO-2,2,2-TRIFLUOROACETOPHENONE can be utilized as a building block for the development of novel materials with specific properties, such as enhanced stability or improved performance in various applications. Its unique structure may contribute to the creation of new polymers, coatings, or other advanced materials.
Used in Analytical Chemistry:
As a reference compound or standard, 4'-CHLORO-2,2,2-TRIFLUOROACETOPHENONE can be employed in analytical chemistry for the calibration of instruments, validation of analytical methods, or as a benchmark for comparing the properties of other related compounds.

InChI:InChI=1/C8H4ClF3O/c9-6-3-1-5(2-4-6)7(13)8(10,11)12/h1-4H

Upstream product

• 106-39-8 bromochlorobenzene 
• 76-05-1 trifluoroacetic acid 
• 407-25-0 trifluoroacetic anhydride 
• 873-77-8 (4-chlorphenyl)magnesium bromide 
• 1126-46-1 Methyl 4-chlorobenzoate 
• 75-46-7 trifluoromethan 
• 181820-18-8 S-(tert-butyl)trifluorothioacetate 
• 1679-18-1 4-Chlorophenylboronic acid 
• 7335-27-5 ethyl 4-chlorobenzoate 
• 1680206-12-5 Grushin’s reagent 
• 104-88-1 4-chlorobenzaldehyde 
• 81290-20-2 (trifluoromethyl)trimethylsilane 
• 712-95-8 tert-butyl 4-chlorobenzoate 
• 22913-11-7 isopropyl 4-chlorobenzoate 

Downstream Products

• 119-61-9 benzophenone 
• 1013084-71-3 5-(4-chlorophenyl)-4-fluoro-2,2-diphenyl-5-(trifluoromethyl)-2,5-dihydro-1,3-oxazole 
• 1316854-89-3 ethyl 5-(4-chlorophenyl)-5-(trifluoromethyl)-4,5-dihydrofuran-2-carboxylate 
• 1401082-01-6 1,1,1,3,3-pentafluoro-2-hydroxy-2-(4-chlorophenyl)-6-phenylhexan-4-one 
• 1453102-14-1 (R)-N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-4-meth-oxyaniline 
• 1334287-94-3 (S)-N-(1-(4-chlorophenyl)-2,2,2-trifluoroethyl)-4-methoxyaniline 
• 202869-52-1 N-(1-(4-chlorophenyl)-2,2,2-trifluoroethylidene)-4-methoxybenzenamine 
• 7785-11-7 1-chloro-4-(perfluoroprop-1-en-2-yl)benzene 
• 1384244-44-3 4-(4-chlorophenyl)-5,5,5-trifluoro-4-hydroxypentan-2-one 
• 1472660-56-2 diethyl (S)-1-((R)-tert-butylsulfinamido)-2,2,2-trifluoro-1-(4-chlorophenyl)ethylphosphonate 
• 1446516-83-1 1-chloro-4-(3,4-dibromo-1,1,1-trifluorobut-2-en-2-yl)benzene 
• 1446516-87-5 1-chloro-4-(3,4-dibromo-1,1,1-trifluorobut-2-en-2-yl)benzene 
• 1446516-77-3 (E)-1-(3-bromo-1,1,1-trifluorobut-2-en-2-yl)-4-chlorobenzene 

Relevant articles and documents

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Synthesis of trifluoromethyl ketones by nucleophilic trifluoromethylation of esters under a fluoroform/KHMDS/triglyme system

A straightforward method that enables the formation of biologically attractive trifluoromethyl ketones from readily available methyl esters using the potent greenhouse gas fluoroform (HCF3, HFC-23) was developed. The combination of fluoroform and KHMDS in triglyme at ?40 °C was effective for this transformation, with good yields as high as 92%. Substrate scope of the trifluoromethylation procedure was explored for aromatic, aliphatic, and conjugated methyl esters. This study presents a straightforward trifluoromethylation process of various methyl esters that convert well to the corresponding trifluoromethyl ketones. The tolerance of various pharmacophores under the reaction conditions was also explored.

Palladium-catalyzed fluoroacylation of (Hetero)arylboronic acid with fluorothioacetates at ambient temperature

A palladium-catalyzed fluoroacylation of (hetero)aryl boronic acid with the fluorothioacetates is described at ambient temperature. A variety of aryl, and heteroaryl boronic acids are compatible in the reaction, affording the corresponding fluoroalkyl ketones in moderate to good yields. Further late-stage di-, and trifluoroacylation of drug molecule clofibrate and estrone demonstrated the synthetic practicability of this protocol.2009 Elsevier Ltd. All rights reserved.