7251-96-9

Basic information

• Product Name: ethyl 2,4-dimethyl-3-oxopentanoate
• CAS NO: 7251-96-9
• Molecular Formula: C₉H₁₆O₃
• Molecular Weight: 172.2215
• Mol File: 7251-96-9.mol
• Article Data: 8

Chemical Properties

• Boiling Point: 207.1°C at 760 mmHg
• Flash Point: 78.9°C
• Density: 0.965g/cm³
• Vapor Pressure: 0.229mmHg at 25°C
• Refractive Index: 1.423
• CAS DataBase Reference: ethyl 2,4-dimethyl-3-oxopentanoate(CAS DataBase Reference)
• NIST Chemistry Reference: ethyl 2,4-dimethyl-3-oxopentanoate(7251-96-9)
• EPA Substance Registry System: ethyl 2,4-dimethyl-3-oxopentanoate(7251-96-9)

Safety Data

• Hazardous Substances Data: 7251-96-9(Hazardous Substances Data)

Usage

General Description

Ethyl 2,4-dimethyl-3-oxopentanoate, also known as ethyl acetoacetate, is a chemical compound commonly used as a flavoring agent in the food industry and as a reagent in organic synthesis. It is a colorless liquid with a fruity odor and is soluble in water and most organic solvents. Ethyl acetoacetate is used in the preparation of various pharmaceuticals, pesticides, and herbicides, as well as in the production of fragrances and perfumes. Its versatile nature and reactivity make it a valuable compound in the chemical industry, with a wide range of applications.

Upstream product

• 7152-15-0 ethyl 4-methyl-3-oxo-pentanoate 
• 74-88-4 methyl iodide 
• 105-37-3 Ethyl propionate 
• 79-30-1 isobutyryl chloride 
• 155688-65-6 1-(2'-Methyl)propanoyl-3,5-dimethylpyrazole 
• 535-11-5 Ethyl 2-bromopropionate 

Downstream Products

• 473237-08-0 2-isopropyl-3-methyl-4-hydroxy-6,7-difluoroquinoline 
• 473237-09-1 2-isopropyl-3-methyl-4-hydroxy-5,6-difluoroquinoline 
• 1229017-15-5 5-methyl-6-isopropyl-2-[2-n-propoxyl-5-(4-methyl-1-piperazinylsulfonyl)phenyl]pyrimid-4( 3 H)-one 
• 1410791-83-1 ethyl 2-(((benzyloxy)carbonyl)(hydroxy)amino)-2,4-dimethyl-3-oxopentanoate 
• 1373511-36-4 ethyl 2-isobutyryl-1-tosylaziridine-2-carboxylate 
• 1256955-63-1 6-isopropyl-5-methylpyrimidin-4-ol 
• 1256955-64-2 4-chloro-6-isopropyl-5-methylpyrimidine 
• 1093429-72-1 ethyl 1-(3-phenylpropyl)-3,5,5-trimethyl-4-oxopiperidine-3-carboxylate 

Relevant articles and documents

Chemoinformatic-Guided Engineering of Polyketide Synthases

Polyketide synthase (PKS) engineering is an attractive method to generate new molecules such as commodity, fine and specialty chemicals. A significant challenge is re-engineering a partially reductive PKS module to produce a saturated β-carbon through a r

Diastereospecific nazarov cyclization of fully substituted dienones: Generation of vicinal all-carbon-atom quaternary stereocenters

No vacancy: Fully substituted dienones that are highly polarized by a vinylogous carbonate group were found to undergo a remarkably rapid and diastereospecific Nazarov cyclization that led to cyclopentenones with vicinal all-carbon-atom quaternary centers (see example; SEM=2-(trimethylsilyl) ethoxymethyl, Tf=trifluoromethanesulfonyl). Copyright

Copper(II) triflate catalyzed amination and aziridination of 2-Alkyl substituted 1,3-dicarbonyl compounds

A method to prepare α-acyl-β-amino acid and 2,2-diacyl aziridine derivatives efficiently from Cu(OTf)2 + 1,10-phenanthroline (1,10-phen)-catalyzed amination and aziridination of 2-alkyl substituted 1,3-dicarbonyl compounds with PhI=NTs is described. By taking advantage of the orthogonal modes of reactivity of the substrate through slight modification of the reaction conditions, a divergence in product selectivity was observed. In the presence of 1.2 equiv of the iminoiodane, amination of the allylic C-H bond of the enolic form of the substrate, formed in situ through coordination to the Lewis acidic metal catalyst, was found to selectively occur and give the β-aminated adduct. On the other hand, increasing the amount of the nitrogen source from 1.2 to 2-3 equiv was discovered to result in preferential formal aziridination of the C-C bond of the 2-alkyl substituent of the starting material and formation of the aziridine product.