5421-90-9

Basic information

• Product Name: ethyl 6-ethyl-2-Methyl-4-oxocyclohex-2-enecarboxylate
• Synonyms: ethyl 6-ethyl-2-Methyl-4-oxocyclohex-2-enecarboxylate;6-ethyl-2-Methyl-4-oxo-cyclohex-2-enecarboxylic acid ethyl ester;2-Cyclohexene-1-carboxylic acid, 6-ethyl-2-Methyl-4-oxo-, ethyl ester;6-Ethyl-2-methyl-4-oxo-2-cyclohexene-1-carboxylic acid ethyl ester;NSC 5688;NSC 57312;ethyl 6-ethyl-2-methyl-4-oxo-cyclohex-2-ene-1-carboxylate
• CAS NO: 5421-90-9
• Molecular Formula: C₁₂H₁₈O₃
• Molecular Weight: 210.26952
• Mol File: 5421-90-9.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 298℃
• Flash Point: 127℃
• Appearance: /
• Density: 1.021
• Vapor Pressure: 0.00132mmHg at 25°C
• Refractive Index: 1.465
• CAS DataBase Reference: ethyl 6-ethyl-2-Methyl-4-oxocyclohex-2-enecarboxylate(CAS DataBase Reference)
• NIST Chemistry Reference: ethyl 6-ethyl-2-Methyl-4-oxocyclohex-2-enecarboxylate(5421-90-9)
• EPA Substance Registry System: ethyl 6-ethyl-2-Methyl-4-oxocyclohex-2-enecarboxylate(5421-90-9)

Safety Data

• Hazardous Substances Data: 5421-90-9(Hazardous Substances Data)

Usage

General Description

Ethyl 6-ethyl-2-methyl-4-oxocyclohex-2-enecarboxylate is a chemical compound with the molecular formula C12H18O3. It is a type of ester, which is a common functional group in organic chemistry. This particular compound is used in the synthesis of pharmaceuticals and agrochemicals, and it also has potential applications in the flavor and fragrance industry. Its main known hazards are irritation of the skin, eyes, and respiratory tract, as well as its flammability. Overall, ethyl 6-ethyl-2-methyl-4-oxocyclohex-2-enecarboxylate is a versatile compound with various uses in different industries, but it must be handled with caution due to its potential health and safety risks.

InChI:InChI=1/C12H18O3/c1-4-9-7-10(13)6-8(3)11(9)12(14)15-5-2/h6,9,11H,4-5,7H2,1-3H3

Upstream product

• 141-97-9 ethyl acetoacetate 
• 123-38-6 propionaldehyde 
• 3885-50-5 2-acetyl-pent-2-enoic acid ethyl ester 

Downstream Products

• 40920-68-1 3-methyl-5-ethylcyclohex-2-en-1-one 
• 100391-19-3 4-acetylamino-2-ethyl-6-methyl-benzoic acid 

Relevant articles and documents

Palladium-Catalyzed Tandem γ-Arylation/Aromatization of Cyclohex-2-En-1-One Derivatives: A Route to 3,4-Dihydroanthracen-1(2H)-Ones

An intramolecular palladium-catalyzed tandem γ-arylation/aromatization reaction of cyclohex-2-en-1-one derivatives was developed. This work provides a simple and efficient approach for the construction of substituted 3,4-dihydroanthracen-1(2H)-ones in good yields with a broad substrate scope. (Figure presented.).

Reaction of CH-acids with Michael acceptors in the presence of potassium carbonate. Syntheses of 6-acetyl- and 3,5-dialkylcyclohex-2-enones

The reaction of acetylacetone with α,β-enones in the presence of potassium carbonate affords 6-acetylcyclohex-2-enones. The assembly of two acetoacetate and one alkanal molecules gives 3,5-dialkylcyclohex-2-enones. Facile one-pot procedures for these reactions were developed.

Recyclization of 1,4-dihydropyridine derivatives in acidic medium

The recyclization of 1,4-dihydropyridines in aqueous-alcoholic hydrochloric acid medium proceeds with cleavage of a C-N bond and pyridine ring opening. Cyclohexenone derivatives are formed as a result of the subsequent intramolecular crotonic condensation of the acyclic intermediate. The leaving carbonyl substituents depart simultaneously with recyclization, depending on the acidity of the reaction medium.