16690-04-3

Basic information

• Product Name: 2-benzoyl-5,5-dimethylcyclohexane-1,3-dione
• Synonyms: 2-benzoyl-5,5-dimethylcyclohexane-1,3-dione
• CAS NO: 16690-04-3
• Molecular Formula: C₁₅H₁₆O₃
• Molecular Weight: 244.28574
• Mol File: 16690-04-3.mol
• Article Data: 4

Chemical Properties

• Melting Point: 116.5-118.0 °C
• Boiling Point: 401.9±45.0 °C(Predicted)
• Appearance: /
• Density: 1.136±0.06 g/cm3(Predicted)
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• PKA: 4.11±0.40(Predicted)
• CAS DataBase Reference: 2-benzoyl-5,5-dimethylcyclohexane-1,3-dione(CAS DataBase Reference)
• NIST Chemistry Reference: 2-benzoyl-5,5-dimethylcyclohexane-1,3-dione(16690-04-3)
• EPA Substance Registry System: 2-benzoyl-5,5-dimethylcyclohexane-1,3-dione(16690-04-3)

Safety Data

• Hazardous Substances Data: 16690-04-3(Hazardous Substances Data)

Usage

General Description

2-Benzoyl-5,5-dimethylcyclohexane-1,3-dione, also known as Dimedone-Benzoic Acid Ester or Dimedone-Benzoyl Ester, is an organic compound with a complex molecular structure typically used in specific scientific applications. It falls under the category of diketones and primarily exists as a white or off-white solid. There isn't much information on its specific uses or roles in chemical reactions, but, like other diketones, it could contribute to certain organic syntheses. Its molecular formula is C15H16O3 and it should be handled with care as chemical safety and hazardous information is not thoroughly documented.

Upstream product

• 98-88-4 benzoyl chloride 
• 126-81-8 dimedone 
• 68197-30-8 5,5-dimethyl-3-oxocyclohex-1-en-1-yl benzoate 
• 1565845-89-7 triethylammonium 2-bromo-5,5-dimethylcyclohexane-1,3-dione-2-ide 
• 100-52-7 benzaldehyde 
• 86760-16-9 7,7-dimethyl-3,4-diphenyl-2-hydroxy-5,6,7,8-tetrahydro-2H-1-benzopyran-5-one 
• 86760-07-8 7,7-dimethyl-3,4-diphenyl-2-methylthio-5,6,7,8-tetrahydro-2H-1-benzopyran-5-one 
• 91301-41-6 2-(4,4-dimethyl-2,6-dioxocyclohexan-1-ylidene)-1,2-diphenylethanone 
• 91301-42-7 2-<α-(benzoyloxy)benzylidene>-5,5-dimethyl-1,3-cyclohexanedione 

Downstream Products

• 1437319-31-7 8,8-dimethyl-2,5-diphenyl-8,9-dihydro[1,2,4]triazolo[1,5-a]quinazolin-6(7H)-one 
• 1437319-29-3 2-amino-8,8-dimethyl-5-phenyl-8,9-dihydro-[1,2,4]triazolo[1,5-a]quinazolin-6(7H)-one 
• 1437319-27-1 8,8-dimethyl-5-phenyl-8,9-dihydro[1,2,4]triazolo[1,5-a]quinazolin-6(7H)-one 
• 1134953-99-3 6,6-dimethyl-1-pentafluorophenyl-3-phenyl-6,7-dihydro-1H-indazol-4(5H)-one 
• 147146-28-9 3,3,9,9-tetramethyl-6-phenyl-1,2,3,4,5,7,8,9,10,10a-decahydrophenanthridine-1,7-dione 
• 936-49-2 2-phenyl-2-imidazoline 
• 126-81-8 dimedone 
• 82681-92-3 2-benzoyl-3-chloro-5,5-dimethyl-2-cyclohexen-1-one 
• 55635-01-3 2-(Ethoxyamino-phenyl-methylene)-5,5-dimethyl-cyclohexane-1,3-dione 
• 55635-02-4 2-(Allyloxyamino-phenyl-methylene)-5,5-dimethyl-cyclohexane-1,3-dione 
• 1240041-43-3 C₁₈H₁₉N₃O 
• 1240041-48-8 C₂₀H₂₄N₂O 
• 38127-63-8 1-benzyl-6,6-dimethyl-3-phenyl-6,7-dihydro-1H-indazol-4(5H)-one 
• 1240041-19-3 2,6,6-trimethyl-3-phenyl-6,7-dihydro-2H-indazol-4(5H)-one 

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.

The Reaction of Cyclic 1,3-Diketones with Alkylcyclopropenium Ions to Yield 2-Alkyltihio-substituted 2H-Pyrans

This study treats the reactions of methylthio-, ethylthio-, or benzylthiodiphenylcyclopropenium ion(1) with 5-, 6-, and 7-membered cyclic 1,3-diketones, giving either 2-alkylthio-2H-pyrans or dienone derivatives.Treatment of 1 with 1,3-cyclopentanedione,