785-74-0

Basic information

• Product Name: 3-OXO-N-(3-(TRIFLUOROMETHYL)PHENYL)BUTANAMIDE
• Synonyms: AURORA KA-7488;AKOS B029160;3-OXO-N-(3-(TRIFLUOROMETHYL)PHENYL)BUTANAMIDE;3-OXO-N-(3-TRIFLUOROMETHYL-PHENYL)-BUTYRAMIDE;3-TRIFLUOROMETHYLACETO-ACETANILIDE;3-TRIFLUORMETHYLACETO-ACETANILID
• CAS NO: 785-74-0
• Molecular Formula: C₁₁H₁₀F₃NO₂
• Molecular Weight: 245.2
• Product Categories: Amines;Phenyls & Phenyl-Het
• Mol File: 785-74-0.mol
• Article Data: 10

Chemical Properties

• Melting Point: 110-111 °C
• Boiling Point: 361.1°C at 760 mmHg
• Flash Point: 172.2°C
• Appearance: /
• Density: 1.317g/cm³
• Vapor Pressure: 2.12E-05mmHg at 25°C
• Refractive Index: 1.5
• PKA: 10.94±0.46(Predicted)
• CAS DataBase Reference: 3-OXO-N-(3-(TRIFLUOROMETHYL)PHENYL)BUTANAMIDE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-OXO-N-(3-(TRIFLUOROMETHYL)PHENYL)BUTANAMIDE(785-74-0)
• EPA Substance Registry System: 3-OXO-N-(3-(TRIFLUOROMETHYL)PHENYL)BUTANAMIDE(785-74-0)

Safety Data

• Hazardous Substances Data: 785-74-0(Hazardous Substances Data)

Usage

General Description

3-OXO-N-(3-(trifluoromethyl)phenyl)butanamide is a chemical compound with the molecular formula C11H11F3NO2. It is an amide derivative containing a trifluoromethylphenyl group and a butanamide moiety. 3-OXO-N-(3-(TRIFLUOROMETHYL)PHENYL)BUTANAMIDE is mostly used in research and development as a building block for the synthesis of other chemical compounds. It is also utilized in medicinal and pharmaceutical industries for its potential therapeutic properties. 3-OXO-N-(3-(trifluoromethyl)phenyl)butanamide has been studied for its anti-inflammatory and analgesic effects, making it a potentially valuable compound for the treatment of various medical conditions.

InChI:InChI=1/C11H10F3NO2/c1-7(16)5-10(17)15-9-4-2-3-8(6-9)11(12,13)14/h2-4,6H,5H2,1H3,(H,15,17)

Upstream product

• 674-82-8 4-methyleneoxetan-2-one 
• 98-16-8 3-trifluoromethylaniline 
• 141-97-9 ethyl acetoacetate 
• 98-46-4 3-trifluoromethylnitrobenzene 
• 1694-31-1 tert-butyl acetoacetate 
• 5394-63-8 2,2,6-trimethyl-4H-1,3-dioxin-4-one 

Downstream Products

• 3870-70-0 2,4-di-acetyl-α,α,α,α',α',α'-hexafluoro-m-glutarotoluidide 
• 61643-55-8 2-[1-Ethoxy-meth-(Z)-ylidene]-3-oxo-N-(3-trifluoromethyl-phenyl)-butyramide 
• 106878-54-0 2-chloro-3-oxo-N-[3-(trifluoromethyl)phenyl]butanamide 
• 463342-69-0 (1Z)-2-oxo-N-phenyl-2-{[3-(trifluoromethyl)phenyl]amino}ethanehydrazonoyl chloride 
• 64129-59-5 3-methyl-3'-trifluoromethyl-5,6-dihydro-4H-imidazo-[2,1-b] thiazole-2-carboxanilide hydrochloride 
• 1588498-98-9 C₁₅H₁₆F₃NO₂ 

Relevant articles and documents

Palladium-Catalyzed Regioselective Coupling Cyclohexenone into Indoles: Atom-Economic Synthesis of β-Indolyl Cyclohexenones and Derivatization Applications

Herein, we report a palladium-catalyzed dehydrogenative cross-coupling of indoles with cyclic enones to give β-indolyl cyclic enones under mild and neutral reaction conditions. The key to the success is to explore a mild condition, which ensures the indole C-H activation and subsequent syn β-hydride elimination through rapid enolization isomerization of Pd(II)-enolate while suppressing other undesired side reactions. Synthetic utility has also been demonstrated in the flexible transformation of the coupling products to meta-phenols and benzo[a]carbazoles.

Ligand-enabled γ-C-H olefination and carbonylation: Construction of β-quaternary carbon centers

Monoselective γ-C-H olefination and carbonylation of aliphatic acids has been accomplished by using a combination of a quinoline-based ligand and a weakly coordinating amide directing group. The reaction provides a new route for constructing richly functionalized all-carbon quaternary carbon centers at the β-position of aliphatic acids.

Structure elucidation of N-aryl-2-chloro-3-oxobutanamides with respect to intra- and intermolecular hydrogen bonding

In general, N-aryl-2-chloro-3-oxobutanamides form in solid state an intermolecular hydrogen bond between the anilide hydrogen and the anilide carbonyl oxygen of a neighbouring molecule, which is disrupted in solution. An intramolecular association could not be detected.