41892-81-3

Basic information

• Product Name: ETHYL 2-ACETYL-4-OXOPENTANOATE
• Synonyms: ethyl 2-acetyl-4-oxovalerate;ETHYL N-HEXA-2,5-DIONE-3-CARBOXYLATE;2-Acetyl-4-oxopentanoic acid ethyl ester;2-Acetyl-4-oxovaleric acid ethyl ester;Ethyl 2-ethanoyl-4-oxopentanoate, 3-(Ethoxycarbonyl)hexane-2,5-dione;ETHYL 2-ACETYL-4-OXOPENTANOATE
• CAS NO: 41892-81-3
• Molecular Formula: C₉H₁₄O₄
• Molecular Weight: 186.21
• EINECS: 255-582-0
• Mol File: 41892-81-3.mol
• Article Data: 21

Chemical Properties

• Boiling Point: 288.2 °C at 760 mmHg
• Flash Point: 124.4 °C
• Appearance: /
• Density: 1.06 g/cm³
• Vapor Pressure: 0.00237mmHg at 25°C
• Refractive Index: 1.433
• CAS DataBase Reference: ETHYL 2-ACETYL-4-OXOPENTANOATE(CAS DataBase Reference)
• NIST Chemistry Reference: ETHYL 2-ACETYL-4-OXOPENTANOATE(41892-81-3)
• EPA Substance Registry System: ETHYL 2-ACETYL-4-OXOPENTANOATE(41892-81-3)

Safety Data

• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26
• Hazardous Substances Data: 41892-81-3(Hazardous Substances Data)

Usage

General Description

Ethyl 2-acetyl-4-oxopentanoate, also known as ethyl acetoacetate, is a chemical compound commonly used as a flavoring agent and as an intermediate in the production of various pharmaceuticals and fine chemicals. It is a clear, colorless liquid with a fruity odor, and it is highly flammable. Ethyl acetoacetate is primarily used in the synthesis of pyrazoles, pyrazolines, and cyclopentenones, as well as in the preparation of artificial flavorings and perfumes. It is also used as a solvent for nitrocellulose, cellulose acetate, and other cellulose ethers. Additionally, it is used in the production of dyes and as a solvent for organic compounds. Overall, ethyl 2-acetyl-4-oxopentanoate has a wide range of industrial and commercial applications due to its versatile chemical properties.

InChI:InChI=1/C9H14O4/c1-4-13-9(12)8(7(3)11)5-6(2)10/h8H,4-5H2,1-3H3

Upstream product

• 1007476-32-5 sodium ethyl acetylacetate enolate 
• 78-95-5 chloroacetone 
• 674-82-8 4-methyleneoxetan-2-one 
• 2009-97-4 ethyl 2-diazo-3-oxobutanoate 
• 141-97-9 ethyl acetoacetate 
• 105104-40-3 Okahara's reagent 
• 122132-58-5 ethyl 2-methyl-5-methylene-4,5-dihydrofuran-3-carboxylate 
• 598-31-2 1-bromoacetone 
• 122132-51-8 3-ethoxycarbonyl-5-iodomethyl-2-methyl-4,5-dihydrofuran 
• 610-89-9 2-acetyl-pent-4-enoic acid ethyl ester 

Downstream Products

• 113186-19-9 1-(4-hydroxy-5-isopropyl-2-methyl-phenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid ethyl ester 
• 636-44-2 2,5-dimethylfuran-3-carboxylic acid 
• 29113-63-1 ethyl 2,5-dimethyl-3-furoate 
• 2758-18-1 3-Methyl-2-cyclopenten-1-one 
• 110-13-4 2,5-hexanedione 
• 500728-34-7 2,5-dimethyl-1-(2-methylphenyl)-1H-pyrrole-3-carboxylic acid 
• 76546-68-4 2,5-dimethyl-1-phenyl-1H-pyrrole-3-carboxylic acid ethyl ester 
• 647843-34-3 1-(4-ethoxy-phenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester 

Relevant articles and documents

Application RNA-helicase DHX33 inhibitor in preparation of medicine for treating leukemia

The invention discloses application of RNA-helicase DHX33 inhibitor in preparation of a medicament for treating or assisting in treating leukemia. The invention establishes an important role DHX33 protein in developing the leukemia, and the provided small molecule compound has the effect of inhibiting DHX33 helicase activity, thereby promoting DHX33 family protein mediated leukemia cancer apoptosis regulated by BCL - 2.

Screening of a Custom-Designed Acid Fragment Library Identifies 1-Phenylpyrroles and 1-Phenylpyrrolidines as Inhibitors of Notum Carboxylesterase Activity

The Wnt family of proteins are secreted signaling proteins that play key roles in regulating cellular functions. Recently, carboxylesterase Notum was shown to act as a negative regulator of Wnt signaling by mediating the removal of an essential palmitoleate. Here we disclose two new chemical scaffolds that inhibit Notum enzymatic activity. Our approach was to create a fragment library of 250 acids for screening against Notum in a biochemical assay followed by structure determination by X-ray crystallography. Twenty fragments were identified as hits for Notum inhibition, and 14 of these fragments were shown to bind in the palmitoleate pocket of Notum. Optimization of 1-phenylpyrrole 20, guided by structure-based drug design, identified 20z as the most potent compound from this series. Similarly, the optimization of 1-phenylpyrrolidine 8 gave acid 26. This work demonstrates that inhibition of Notum activity can be achieved by small, drug-like molecules possessing favorable in vitro ADME profiles.

Urea decomposition: Efficient synthesis of pyrroles using the deep eutectic solvent choline chloride/urea

A simple and efficient method is reported for the synthesis of pyrroles via condensation of a series of tricarbonyl compounds with ammonia, which was generated in situ from decomposition of the deep eutectic solvent choline chloride/urea.