6942-61-6

Basic information

• Product Name: 4-Oxo-4-p-tolylbutanoic acid, ethyl ester
• Synonyms: 4-Oxo-4-p-tolylbutanoic acid, ethyl ester
• CAS NO: 6942-61-6
• Molecular Formula: C₁₃H₁₆O₃
• Molecular Weight: 220.27
• Mol File: 6942-61-6.mol
• Article Data: 18

Chemical Properties

• Melting Point: 43 °C
• Boiling Point: 344.4°C at 760 mmHg
• Flash Point: 151.2°C
• Appearance: /
• Density: 1.065g/cm³
• Vapor Pressure: 6.59E-05mmHg at 25°C
• Refractive Index: 1.505
• Solubility: soluble in Methanol
• CAS DataBase Reference: 4-Oxo-4-p-tolylbutanoic acid, ethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 4-Oxo-4-p-tolylbutanoic acid, ethyl ester(6942-61-6)
• EPA Substance Registry System: 4-Oxo-4-p-tolylbutanoic acid, ethyl ester(6942-61-6)

Safety Data

• Hazardous Substances Data: 6942-61-6(Hazardous Substances Data)

Usage

Description

4-Oxo-4-p-tolylbutanoic acid, ethyl ester is a chemical compound derived from the esterification of 4-oxo-4-p-tolylbutanoic acid with ethanol. It is a clear, colorless liquid with a fruity odor and is insoluble in water but soluble in organic solvents. 4-Oxo-4-p-tolylbutanoic acid, ethyl ester is commonly used as an intermediate in the synthesis of pharmaceuticals and other organic compounds.

Uses

Used in Pharmaceutical Industry:
4-Oxo-4-p-tolylbutanoic acid, ethyl ester is used as an intermediate in the synthesis of pharmaceuticals for its ability to be incorporated into the structure of various medicinal compounds.
Used in Organic Synthesis:
4-Oxo-4-p-tolylbutanoic acid, ethyl ester is used as a reagent in organic synthesis for its ability to react with other compounds to form new organic molecules.
It is important to handle this compound with caution as it may cause irritation to the skin, eyes, and respiratory system, and proper safety measures should be taken when working with this substance.

InChI:InChI=1/C13H16O3/c1-3-16-13(15)9-8-12(14)11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3

Upstream product

• 64-17-5 ethanol 
• 4619-20-9 3-(4-methylbenzoyl)propionic acid 
• 117937-03-8 4-hydroxy-4-p-tolyl-but-2-ynoic acid ethyl ester 
• 6414-69-3 ethyl 3-iodopropanoate 
• 874-60-2 4-methyl-benzoyl chloride 
• 4294-57-9 para-methylphenylmagnesium bromide 
• 331991-58-3 ethyl 4-(3,5-dimethylpyrazol-1-yl)-4-oxobutanoate 
• 624-31-7 4-tolyl iodide 
• 140-88-5 ethyl acrylate 
• 13939-06-5 molybdenum hexacarbonyl 
• 98-80-6 phenylboronic acid 
• 108-88-3 toluene 
• 193065-68-8 (3-ethoxy-3-oxopropyl)zinc(II) bromide 
• 104-87-0 4-methyl-benzaldehyde 

Downstream Products

• 100643-80-9 2,2,5-trimethyl-5-p-tolyl-tetrahydro-furan 
• 16020-19-2 γ-methyl-γ-p-tolyl-vinylacetic acid 
• 108950-49-8 4-p-tolyl-hex-3-enoic acid 
• 7144-81-2 1-phenyl-4-p-tolyl-cyclopenta-1,3-diene 
• 40663-79-4 4-methyl-4-p-tolyl-valeric acid 
• 21034-34-4 (±)-5-(4-methylphenyl)-γ-valerolactone 
• 136343-84-5 (Z)-4-Chloro-3-formyl-4-p-tolyl-but-3-enoic acid ethyl ester 
• 32623-17-9 4-p-tolyl-4-pentenoic acid ethyl ester 
• 54158-61-1 2-methyl-3-(4-methylphenyl)-2-cyclopentenone 
• 32623-19-1 4-(4'-Methylphenyl)-4-pentenal 
• 193979-47-4 ethyl 6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine-3-acetate 
• 7497-80-5 (+/-)-1-phenyl-4-p-tolyl-norborn-5-ene-2endo,3endo-dicarboxylic acid-anhydride 
• 26232-97-3 4-p-tolylpentanoic acid 
• 4999-58-0 1-methyl-4-(6-methylhepta-1,5-dien-2-yl)benzene 

Relevant articles and documents

Synthesis of Unsymmetrical 1,4-Dicarbonyl Compounds by Photocatalytic Oxidative Radical Additions

Herein we report a photocatalytic oxidative radical addition reaction for the synthesis of unsymmetrical 1,4-dicarbonyl compounds. This reaction utilizes a desulfurization process to generate electrophilic radicals, which add to α-halogenated alkenes and undergo further oxidation to deliver 1,4-dicarbonyl compounds. This mild and highly efficient method provides a valuable alternative to known strategies.

1-butyl-3-methylimidazolium bromide as a solvent and precatalyst for stetter reaction

Stetter reaction between aromatic aldehydes and acrylonitrile/ethyl acrylate performing in [Bmim]Br in the presence of NaOH is described. N-Heterocyclic carbene (NHC) generates in situ is shown to be an efficient catalyst. Benzoin condensation also occured as side reaction.

Nickel-Catalyzed Transformation of Diazoacetates to Alkyl Radicals Using Alcohol as a Hydrogen Source

A nickel-catalyzed transformation of diazoacetates to α-carbonyl methylene radicals has been disclosed in the presence of hyperoxide using ethanol as a hydrogen source and solvent. This strategy is successfully applied in the formation of indolin-2-ones or 1,4-dicarbonyl compounds from acrylamides or enamides in moderate to good yields. These reactions undergo radical addition onto C-C double bonds followed by a cyclization/oxidation or an oxidation/hydrolysis process, respectively.