2396-05-6

Basic information

• Product Name: 1-(4-Dimethylaminophenyl)-2,2,2-trifluoroethanone
• Synonyms: 4'-(DIMETHYLAMINO)-2,2,2-TRIFLUOROACETOPHENONE;4'-N,N-DIMETHYLAMINO-2,2,2-TRIFLUOROACETOPHENONE;1-(4-DIMETHYLAMINOPHENYL)-2,2,2-TRIFLUOROETHANONE;Ethanone, 1-[4-(dimethylamino)phenyl]-2,2,2-trifluoro-;Ethanone, 1-[4-(dimethylamino)phenyl]-2,2,2-trifluoro- (9CI);4'-(DiMethylaMino)-2,2,2-trifluoroacetophenone 97%;1-(4-(Dimethylamino)phenyl)-2,2,2-trifluoroethan-1-one
• CAS NO: 2396-05-6
• Molecular Formula: C₁₀H₁₀F₃NO
• Molecular Weight: 217.19
• Product Categories: ACETYLHALIDE;C10;Carbonyl Compounds;Ketones
• Mol File: 2396-05-6.mol
• Article Data: 4

Chemical Properties

• Melting Point: 72-76 °C(lit.)
• Boiling Point: 265.8°C at 760 mmHg
• Flash Point: 114.5°C
• Appearance: /
• Density: 1.238g/cm³
• Vapor Pressure: 0.00898mmHg at 25°C
• Refractive Index: 1.494
• PKA: 1.41±0.12(Predicted)
• CAS DataBase Reference: 1-(4-Dimethylaminophenyl)-2,2,2-trifluoroethanone(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(4-Dimethylaminophenyl)-2,2,2-trifluoroethanone(2396-05-6)
• EPA Substance Registry System: 1-(4-Dimethylaminophenyl)-2,2,2-trifluoroethanone(2396-05-6)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36
• WGK Germany: 3
• Hazardous Substances Data: 2396-05-6(Hazardous Substances Data)

Usage

General Description

1-(4-Dimethylaminophenyl)-2,2,2-trifluoroethanone is a synthetic, organic compound that is structured from a trifluoroethanone core substituted at position 1 by a 4-dimethylaminophenyl. It is a member of the trifluoroethanones, which means it contains a ketone group, and specifically, a derivative of acetophenone where three hydrogen atoms are replaced by three fluorine atoms at one saturated side chain. It is typically presented as a solid and should be carefully handled due to its chemical properties. It doesn't have any significant industrial or medical use currently, and typical tasks associated with it are usually related to laboratory studies and preparatory chemical research.

InChI:InChI=1/C10H10F3NO/c1-14(2)8-5-3-7(4-6-8)9(15)10(11,12)13/h3-6H,1-2H3

Upstream product

• 121-69-7 N,N-dimethyl-aniline 
• 619-84-1 p-N,N-dimethylaminobenzoic acid 
• 81290-20-2 (trifluoromethyl)trimethylsilane 
• 201230-82-2 carbon monoxide 
• 698-70-4 4-Iodo-N,N-dimethylaniline 
• 407-25-0 trifluoroacetic anhydride 
• 383-63-1 ethyl trifluoroacetate, 
• 586-77-6 4-bromo-N,N-dimethylaniline 
• 360-92-9 N,N-diethyl-2,2,2-trifluoroacetamide 

Downstream Products

• 136346-85-5 1,1,1,7,7,7-hexafluoro-2,6-di(p-dimethylaminophenyl)-2,6-dihydroxyheptan-4-one 
• 1541177-24-5 N,N-dimethyl-4-(3,3,3-trifluoroprop-1-en-2-yl)aniline 
• 1541177-43-8 2-(4-(dimethylamino)phenyl)-1,1,1-trifluoro-3-(trimethylsilyl)-propan-2-ol 
• 1453102-18-5 N-(4-methoxyphenyl)-2,2,2-trifluoro-1-(4-(N,N-dimethylammino)-phenyl)ethan-1-amine 

Relevant articles and documents

Trifluoromethylation of Benzoic Acids: An Access to Aryl Trifluoromethyl Ketones

The trifluoromethylation of benzoic acids with TMSCF3 was achieved through nucleophilic substitution with the use of anhydrides as an in situ activating reagent. Under the reaction conditions, a wide range of carboxylic acids including the bioactive ones worked well, thus providing a facile and efficient method for preparing aryl trifluoromethyl ketones from the readily available starting materials.

A simple method for the preparation of aryl trifluoromethyl ketones

4-Dimethylamino-1-trifluoroacetylpyridinium trifluoroacetate (2) is an effective, easy to handle and stable trifluoroacetylation agent. Aryl trifluormethyl ketones 4 are obtained in good yields by reaction of 2 with aromatic compounds 3 in the presence of aluminum chloride.