79606-79-4

Basic information

• Product Name: 2-(Hydroxy-phenyl-methyl)-5,5-dimethyl-4-oxo-hexanoic acid methyl ester
• Synonyms: 2-(Hydroxy-phenyl-methyl)-5,5-dimethyl-4-oxo-hexanoic acid methyl ester
• CAS NO: 79606-79-4
• Molecular Weight: 278.348
• Mol File: 79606-79-4.mol
• Article Data: 7

Chemical Properties

• CAS DataBase Reference: 2-(Hydroxy-phenyl-methyl)-5,5-dimethyl-4-oxo-hexanoic acid methyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(Hydroxy-phenyl-methyl)-5,5-dimethyl-4-oxo-hexanoic acid methyl ester(79606-79-4)
• EPA Substance Registry System: 2-(Hydroxy-phenyl-methyl)-5,5-dimethyl-4-oxo-hexanoic acid methyl ester(79606-79-4)

Safety Data

• Hazardous Substances Data: 79606-79-4(Hazardous Substances Data)

Upstream product

• 77903-42-5 2-tert-Butyl-2-trimethylsilanyloxy-cyclopropanecarboxylic acid methyl ester 
• 100-52-7 benzaldehyde 
• 55107-14-7 Methyl 4,4-dimethyl-3-oxopentanoate 
• 75-11-6 diiodomethane 

Downstream Products

• 102536-77-6 methyl t-5-allyl-c-5-tert-butyl-c-2-phenyl-tetrahydrofuran-r-3-carboxylate 
• 102536-77-6 methyl c-5-allyl-t-5-tert-butyl-t-2-phenyl-tetrahydrofuran-r-3-carboxylate 
• 124645-65-4 methyl 5-tert-butyl-2-phenyl-furan-3-carboxylate 
• 665006-23-5 methyl 1-benzyl-5-tert-butyl-2-phenyl-1H-pyrrole-3-carboxylate 
• 875918-24-4 5-tert-butyl-3-(methoxycarbonyl)-1-(2-methylpropyl)-2-phenylpyrrole 
• 875918-49-3 5-tert-butyl-3-(methoxycarbonyl)-2-phenylthiophene 
• 124645-64-3 methyl 2-(1-oxo-1-phenyl-methyl)-5,5-dimethyl-4-oxo-hexanoate 
• 124645-63-2 methyl 5-tert-butyl-t-2-phenyl-2,3-dihydrofuran-r-3-carboxylate 
• 124645-56-3 methyl c-5-tert-butyl-c-2-phenyl-tetrahydrofuran-r-3-carboxylate 
• 102536-79-8 methyl t-5-tert-butyl-c-5-cyano-c-2-phenyl-tetrahydrofuran-r-3-carboxylate 
• 102536-79-8 methyl c-5-tert-butyl-t-5-cyano-c-2-phenyl-tetrahydrofuran-r-3-carboxylate 

Relevant articles and documents

A combined DFT and NMR investigation of the zinc organometallic intermediate proposed in the syn-selective tandem chain extension-aldol reaction of β-keto esters

The tandem chain extension-aldol (TCA) reaction of β-keto esters provides an α-substituted γ-keto ester with an average syn:anti selectivity of 10:1. It is proposed that the reaction proceeds via a carbon-zinc bound organometallic intermediate potentially bearing mechanistic similarity to the Reformatsky reaction. Evidence, derived from control Reformatsky reactions and a study of the structure of the TCA intermediate utilizing DFT methods and NMR spectroscopy, suggests the γ-keto group of the TCA intermediate plays a significant role in diastereoselectivity observed in this reaction. Such coordination effects have design implications for future zinc mediated reactions.

Microwave-assisted Paal-Knorr reaction - Three-step regiocontrolled synthesis of polysubstituted furans, pyrroles and thiophenes

An efficient and highly versatile synthesis of furans, pyrroles and thiophenes is described. Starting from commercially available or easily prepared β-keto esters, functional homologation provides differently substituted 1,4-diketones that can be transfor

Tandem chain extension-aldol reaction: syn selectivity with a zinc enolate.

A tandem chain extension-aldol reaction was developed in which beta-keto esters are transformed to alpha-substituted-gamma-keto esters in an efficient zinc-mediated, one-pot reaction. The diastereoselectivity of the reaction ranged from good to excellent