898787-00-3

Basic information

• Product Name: 3-(3-CHLOROPHENYL)-4'-FLUOROPROPIOPHENONE
• Synonyms: 3-(3-CHLOROPHENYL)-4'-FLUOROPROPIOPHENONE
• CAS NO: 898787-00-3
• Molecular Formula: C15H12ClFO
• Molecular Weight: 262.71
• Mol File: 898787-00-3.mol

Chemical Properties

• Boiling Point: 389.2°C at 760 mmHg
• Flash Point: 189.2°C
• Appearance: /
• Density: 1.225g/cm³
• Vapor Pressure: 2.9E-06mmHg at 25°C
• Refractive Index: 1.569
• CAS DataBase Reference: 3-(3-CHLOROPHENYL)-4'-FLUOROPROPIOPHENONE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(3-CHLOROPHENYL)-4'-FLUOROPROPIOPHENONE(898787-00-3)
• EPA Substance Registry System: 3-(3-CHLOROPHENYL)-4'-FLUOROPROPIOPHENONE(898787-00-3)

Safety Data

• Hazardous Substances Data: 898787-00-3(Hazardous Substances Data)

Usage

InChI:InChI=1/C15H12ClFO/c16-13-3-1-2-11(10-13)4-9-15(18)12-5-7-14(17)8-6-12/h1-3,5-8,10H,4,9H2

Upstream product

• 873-63-2 m-chlorobenzyl alcohol 
• 403-42-9 1-(4-fluorophenyl)ethanone 

Relevant articles and documents

Designed pincer ligand supported Co(ii)-based catalysts for dehydrogenative activation of alcohols: Studies onN-alkylation of amines, α-alkylation of ketones and synthesis of quinolines

Base-metal catalystsCo1,Co2andCo3were synthesized from designed pincer ligandsL1,L2andL3having NNN donor atoms respectively.Co1,Co2andCo3were characterized by IR, UV-Vis. and ESI-MS spectroscopic studies. Single crystal X-ray diffraction studies were investigated to authenticate the molecular structures ofCo1andCo3. CatalystsCo1,Co2andCo3were utilized to study the dehydrogenative activation of alcohols forN-alkylation of amines, α-alkylation of ketones and synthesis of quinolines. Under optimized reaction conditions, a broad range of substrates including alcohols, anilines and ketones were exploited. A series of control experiments forN-alkylation of amines, α-alkylation of ketones and synthesis of quinolines were examined to understand the reaction pathway. ESI-MS spectral studies were investigated to characterize cobalt-alkoxide and cobalt-hydride intermediates. Reduction of styrene by evolved hydrogen gas during the reaction was investigated to authenticate the dehydrogenative nature of the catalysts. Probable reaction pathways were proposed forN-alkylation of amines, α-alkylation of ketones and synthesis of quinolines on the basis of control experiments and detection of reaction intermediates.

Efficient Organoruthenium Catalysts for α-Alkylation of Ketones and Amide with Alcohols: Synthesis of Quinolines via Hydrogen Borrowing Strategy and their Mechanistic Studies

A new family of phosphine free organometallic ruthenium(II) catalysts (Ru1–Ru4) supported by bidentate NN Schiff base ligands (L1–L4 where L1=N,N-dimethyl-4-((2-phenyl-2-(pyridin-2-ylmethyl)hydrazineylidene)methyl) aniline, L2=N,N-diethyl-4-((2-phenyl-2-(pyridin-2-ylmethyl)hydrazineylidene)methyl)aniline, L3=N,N-dimethyl-4-((2-phenyl-2-(pyridin-2-yl)hydrazineylidene)methyl)- aniline and L4=N,N-diethyl-4-((2-phenyl-2-(pyridin-2-yl)hydrazineylidene)methyl) aniline) was prepared and characterized. These half-sandwich complexes acted as catalysts for C?C bond formation and exhibited excellent performance in the dehydrogenative coupling of ketones and amides. In the synthesis of C–C bonds, alcohols were utilized as the alkylating agent. A broad range of substrates, including sterically hindered ketones and alcohols, were well tolerated under the optimized conditions (TON up to 47000 and TOF up to 11750 h?1). This ruthenium (II) catalysts were also active towards the dehydrogenative cyclization of o-amino benzyl alcohol for the formation of quinolines derivatives. Various polysubstituted quinolines were synthesized in moderate to excellent yields (TON up to 71000 and TOF up to 11830 h?1). Control experiments were carried out and the ruthenium hydride intermediate was characterized to support the reaction mechanism and a probable reaction pathway of dehydrogenative coupling for the C?C bond formation has been proposed.