17450-95-2

Basic information

• Product Name: 2-Butyryldimedone
• Synonyms: 2-Butyryldimedone ;2-Butyryl-5,5-diMethyl-1,3-cyclohexanedione;5,5-DiMethyl-2-(1-oxobutyl)-1,3-cyclohexanedione
• CAS NO: 17450-95-2
• Molecular Formula: C₁₂H₁₈O₃
• Molecular Weight: 210.26952
• Product Categories: Intermediates;Miscellaneous Reagents;Intermediates, Miscellaneous Reagents
• Mol File: 17450-95-2.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 123-124 °C(Press: 5 Torr)
• Appearance: /
• Density: 1.040±0.06 g/cm3(Predicted)
• Solubility: Dichloromethane, Ethyl Acetate, Methanol
• PKA: 3.73±0.42(Predicted)
• CAS DataBase Reference: 2-Butyryldimedone(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Butyryldimedone(17450-95-2)
• EPA Substance Registry System: 2-Butyryldimedone(17450-95-2)

Safety Data

• Hazardous Substances Data: 17450-95-2(Hazardous Substances Data)

Usage

Chemical Properties

Yellow Oil

Uses

2-Butyryldimedone is an intermediate in the preparation of 1,3-cyclohexanedione derivatives used to make herbicides and antimicrobial compounds.

Upstream product

• 1565845-89-7 triethylammonium 2-bromo-5,5-dimethylcyclohexane-1,3-dione-2-ide 
• 123-72-8 butyraldehyde 
• 126-81-8 dimedone 
• 126279-94-5 2-Butyryl-3-chloro-5,5-dimethyl-cyclohex-2-enone 
• 69629-37-4 3-butyryloxy-5,5-dimethyl-2-cyclohexen-1-one 
• 134223-85-1 5,5-dimethyl-2-(1-pyrrolidinobutylidene)cyclohexane-1,3-dione 
• 74-88-4 methyl iodide 
• 3357-16-2 5,5-dimethyl-3-(1-pyrrolidinyl)-2-cyclohexen-1-one 
• 106-31-0 butanoic acid anhydride 

Downstream Products

• 143391-79-1 5,5-dimethyl-2-<1-(propylamino)butylidene>cyclohexane-1,3-dione 
• 143391-69-9 3-acetoxy-2-butanoyl-5,5-dimethyl-2-cyclohexen-1-one 
• 118082-06-7 2-butyryl-3-methoxy-5,5-dimethylcyclohex-2-en-1-one 
• 143391-78-0 2-<1-(benzylamino)butylidene>-5,5-dimethylcyclohexane-1,3-dione 
• 1361480-13-8 5,5-dimethyl-2-[(Z)-1-(piperidyl)-3-phenyl-2-ethyl-prop-2-en-1-ylidene]-cyclohexane-1,3-dione 
• 1361479-96-0 5,5-dimethyl-2-[(Z)-1-(diethylamino)-3-phenyl-2-ethyl-prop-2-en-1-ylidene]cyclohexane-1,3-dione 

Relevant articles and documents

New Protocol for the Synthesis of 2-Alkanoyl- and 2-Aryloyl-5,5-dimethylcyclohexane-1,3-diones by the Reaction of Dimedone with Various Aldehydes and Cyanogen Bromide in the Presence of Triethylamine

A new route for the synthesis of 2-alkanoyl(aryloyl)-5,5-dimethylcyclohexane-1,3-diones as cyclic β-triketones is described. This synthesis was conducted by the reaction of dimedone with cyanogen bromide and triethylamine to form first the intermediate salt, followed by the addition of various aliphatic and aromatic aldehydes. The structures of the products were characterized by IR, 1H, and 13C NMR spectroscopic techniques. A reaction mechanism is proposed.

ENAMINO DIKETONES OF THE CYCLOHEXANE SERIES. REGIOSELECTIVITY OF ALKYLATION BY THE ACTION OF STRONG BASES

Depending on the base and on the conditions, the alkylation of enamino diketones of the cyclohexane series takes place with a high degree of regioselectivity with the formation of the products from alkylation at the α' or γ position.