6049-50-9

Basic information

• Product Name: Benzenepropanoic acid, b-acetyl-
• Synonyms: 4-oxo-3-phenylpentanoic acid
• CAS NO: 6049-50-9
• Molecular Formula: C₁₁H₁₂O₃
• Molecular Weight: 192.21118
• Mol File: 6049-50-9.mol
• Article Data: 6

Chemical Properties

• Appearance: /
• CAS DataBase Reference: Benzenepropanoic acid, b-acetyl-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzenepropanoic acid, b-acetyl-(6049-50-9)
• EPA Substance Registry System: Benzenepropanoic acid, b-acetyl-(6049-50-9)

Safety Data

• Hazardous Substances Data: 6049-50-9(Hazardous Substances Data)

Upstream product

• 50901-82-1 4-phenyl-5-methyl-1,3-dihydro-1H-pyrrol-2-one 
• 223243-86-5 (E)-4-phenyl-3-pentenoic acid 
• 5292-53-5 diethyl benzalmalonate 
• 93159-92-3 (2-oxo-1-phenyl-propyl)-malonic acid diethyl ester 
• 103-79-7 1-phenyl-acetone 
• 4407-36-7 (2E)-3-phenyl-2-propen-1-ol 
• 90172-86-4 methyl 3-phenyl-4-pentenoate 
• 25359-49-3 Methyl 4-oxo-3-phenylpentanoate 
• 57734-28-8 3-Phenyllevulinic Acid Dimethylamide 
• 63795-90-4 3-phenyl-4-oxopentanoic acid ethyl ester 
• 91964-00-0 2-carboxy-3-phenyl-4-oxopentanoic acid 

Downstream Products

• 112423-41-3 cis-5-Methyl-4-phenyl-4,5-dihydro-2(3H)-furanone 
• 63795-90-4 3-phenyl-4-oxopentanoic acid ethyl ester 
• 63795-91-5 5-phenyl-6-methyl-3(2H)-pyridazinone 
• 35991-33-4 5-phenyl-6-methyl-4,5-dihydro-3(2H)-pyridazinone 
• 97839-35-5 3-(2-cyanoethyl)-3-phenyl-4-oxopentanoic acid 
• 74528-46-4 5-methyl-4-phenylfuran-2(5H)-one 
• 145838-91-1 1-diazo-4-phenylhexane-2,5-dione 

Relevant articles and documents

Activation of the hypervalent fluoroiodane reagent by hydrogen bonding to hexafluoroisopropanol

Hexafluoroisopropan-2-ol (HFIP) is an excellent solvent for promoting fluorinations with the hypervalent fluoroiodane reagent 1 and crucially, it removes the need for transition metals or TREAT-HF activators. The fluoroiodane reagent 1 was used in HFIP to monofluorinate 1,3-ketoesters and to fluorocyclise unsaturated carboxylic acids in excellent yields under mild reaction conditions.

Predominant 1,2-insertion of styrene in the Pd-catalyzed alternating copolymerization with carbon monoxide

The regioselectivity of styrene insertion to an acyl-Pd bond was studied by NMR in (i) a stoichiomeric reaction and (ii) a copolymerization with CO. In the stoichiometric reaction of styrene with [(CH3CO)Pd-(CH3CN){(R,S)-BINAPHOS}] ·[B{3,5-(CF3)2C6 H3}4], both 1,2-and 2,1-products were given. To mimic the real polymerization conditions, a polyketone-substituted complex [{CH3(CH2CHCH3CO)n}Pd{(R,S)-BINAP HOS}]·[B(3,5-(CF3)2C6 H3)4] (n ≈ 14) was prepared. When this polymer-attached Pd species was treated with styrene, the 1,2-insertion product was the only detectable species. Thus, exclusive 1,2-insertion is demonstrated to be responsible for the styrene-CO copolymerization, in sharp contrast to the predominant 2,1-insertion with conventional nitrogen ligands. Chain-end analysis revealed that β-hydride elimination took place from the 2,1-complex but not from the 1,2-complex. Thus, once 2,1-insertion occurs, rapid β-hydride elimination proceeds to terminate the polymerization, as is common to the other phosphorus-ligand systems. The resulting Pd-H species re-initiates the copolymerization, as was proven by MALDI-TOF mass analysis of the product copolymers.

Alternatives to α-Diazo Ketones for Tandem Cyclization-Cycloaddition and Carbenoid-Alkyne Metathesis Strategies. Novel Cyclic Enol-Ether Formation via Carbonyl Ylide Rearrangement Reactions

Attempts to form carbonyl ylides from free carbenes derived from diazirines or diazo compounds lacking electron-withdrawing substituents resulted in azine formation or Wolff rearrangement, respectively.Iodonium ylides proved to be a possible alternative to α-diazo compounds for metallocarbenoid generation, similar reactivity being observed for both systems.Studies into the rearrangement chemistry of carbonyl ylides provided a novel cyclic enol-ether synthesis via a 1,4-hydrogen shift process.