7029-49-4

Basic information

• Product Name: 3-Hexanone, 4-ethyl-4-hydroxy-
• CAS NO: 7029-49-4
• Molecular Formula: C8H16O2
• Molecular Weight: 144.214
• Mol File: 7029-49-4.mol

Chemical Properties

• CAS DataBase Reference: 3-Hexanone, 4-ethyl-4-hydroxy-(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Hexanone, 4-ethyl-4-hydroxy-(7029-49-4)
• EPA Substance Registry System: 3-Hexanone, 4-ethyl-4-hydroxy-(7029-49-4)

Safety Data

• Hazardous Substances Data: 7029-49-4(Hazardous Substances Data)

Upstream product

• 60-29-7 diethyl ether 
• 925-90-6 ethylmagnesium bromide 
• 623-49-4 ethyl cyanoformate 
• 109-99-9 tetrahydrofuran 
• 201230-82-2 carbon monoxide 
• 557-18-6 diethylmagnesium 

Relevant articles and documents

Reaction of dialkylmagnesium with carbon monoxide. II

Reaction of MgEt2 with CO gives Et2CO, Et2CHOH, EtCOCH(OH)Et, EtCOCHEt2 and EtCOC(OH)Et2.The qualitative and quantitative composition of the product mixture was found to be dependent on the MgEt2 concentration and the polarity of solvent.The kinetic results reveal that reaction of CO with MgEt2 and with its dissociation product MgEt3-, followed by the formation of the Et2CO and EtCOCHEt2, respectively.The other compounds are formed in the subsequent reactions.The rate constants of formation of pentanone-3 and 4-ethylhexanone-3 are equal k1 0.292 s-1 and k2 0.450 s-1, respectively.

REACTION OF DIALKYLMAGNESIUM WITH CARBON MONOXIDE AND NITROSODURENE

Reaction between diethylmagnesium and carbon monoxide gives rise to the formation of pentanone-3, pentanol-3, 3-ethylpentanol-3, 3-ethyl-3-hydroxyhexanone-4 and 3-ethylhexanone-4.The use of CO and application of C NMR spectroscopy revealed that C2H5COCH(C2H5)2 arose after hydrolysis of C2H5COC(C2H5)2MgC2H5.Reaction between (C2H5)2Mg and nitrosodurene proceeds according to the nitrene-radical mechanism and the EPR spectrum presents a signal derived from Me4PhN(radical)-N(PhMe4)OMgC2H5.Upon this basis a carbene-radical mechanism is proposed for the reaction between carbon monoxide and diethylmagnesium.

THE APPLICATION OF FREE RADICALS TO THE CATALYTIC SYNTHESIS OF CARBON MONOXIDE DERIVATIVES

The chemical reactions of carbon monoxide with (C2H5)2Mg and C2H5MgBr in the presence of the carbonyls Mo(CO)6, W(CO)6, Co2(CO)8 and Fe2(CO)9 in tetrahydrofuran have been examined.Catalytic reaction produced a series of compounds.The tetrahydrofuranyl-2-ethyl ketone was the main reaction product, indicating the radical character of the reaction.