79034-93-8

Basic information

• Product Name: ETHYL 4-(2-METHYLPHENYL)-4-OXOBUTYRATE
• Synonyms: ETHYL 4-(2-METHYLPHENYL)-4-OXOBUTYRATE
• CAS NO: 79034-93-8
• Molecular Formula: C₁₃H₁₆O₃
• Molecular Weight: 220.26
• Mol File: 79034-93-8.mol

Chemical Properties

• Boiling Point: 339.4°C at 760 mmHg
• Flash Point: 148.6°C
• Appearance: /
• Density: 1.065g/cm³
• Vapor Pressure: 9.21E-05mmHg at 25°C
• Refractive Index: 1.505
• CAS DataBase Reference: ETHYL 4-(2-METHYLPHENYL)-4-OXOBUTYRATE(CAS DataBase Reference)
• NIST Chemistry Reference: ETHYL 4-(2-METHYLPHENYL)-4-OXOBUTYRATE(79034-93-8)
• EPA Substance Registry System: ETHYL 4-(2-METHYLPHENYL)-4-OXOBUTYRATE(79034-93-8)

Safety Data

• Hazardous Substances Data: 79034-93-8(Hazardous Substances Data)

Usage

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

Upstream product

• 6414-69-3 ethyl 3-iodopropanoate 
• 933-88-0 ortho-toluoyl chloride 
• 615-37-2 ortho-methylphenyl iodide 
• 140-88-5 ethyl acrylate 
• 13939-06-5 molybdenum hexacarbonyl 
• 611-15-4 1-methyl-2-vinyl-benzene 
• 623-73-4 diazoacetic acid ethyl ester 

Downstream Products

• 939401-06-6 ethyl 4-(2-methylphenyl)-4-pentenoate 

Relevant articles and documents

A process for preparing γ - ketone carbonyl compounds

The present invention discloses a gamma-ketone carbonyl compound preparation method, wherein in the presence of an oxidizing agent, a styrene compound and ethyl diazoacetate are adopted as reactants, copper or a copper compound is adopted as a catalyst, DABCO is adopted as an alkali, and a free radical reaction is performed in a polar solvent isopropyl alcohol to obtain the product gamma-ketone carbonyl compound. According to the method of the present invention, the reaction activity of the catalyst is high, the reaction conditions are mild, the substrate application range is wide, the post-treatment is convenient, the yield of the target product is high, the preparation process is simple, and the sources of the used raw materials are wide.

Cu-based carbene involved in a radical process: A new crossover reaction to construct γ-peroxy esters and 1,4-dicarbonyl compounds

Through merging Cu-based carbenes in a radical process, a novel crossover reaction has been successfully established, leading to the facile and efficient syntheses of various γ-peroxy esters and 1,4-dicarbonyl compounds. Considering that both Cu-based carbene complexes and radicals are extremely reactive, and therefore exist only in extraordinarily low concentrations, the high selectivity of this coupling reaction is unusual.

Intermolecular addition reaction to alkenes of acylmolybdenum complexes generated by oxidative addition of aryl or alkenyl halides with molybdenum(0) carbonyl complexes

Acylmolybdenum species, generated by oxidative addition of aryl or alkenyl halides with molybdenum(0) carbonyl complex followed by carbon monoxide insertion, added to various kinds of alkenes intermolecularly to give simple addition products in good yields without formation of carbonylative Heck-type products. Georg Thieme Verlag Stuttgart.

ortho-halogeno substituents effect in asymmetric cyclization of 4-aryl-4-pentenals using a rhodium catalyst

Asymmetric cyclization of 4-aryl-4-pentenals by using a cationic [Rh((R)-BINAP)]ClO4 afforded (3R)-3-substituted cyclopentanones; on the other hand, the cyclization of 4-pentenals bearing ortho-halogeno phenyl groups afforded the opposite (3S)-ones.