4,4-DIMETHYL-1,3-CYCLOHEXANEDIONE

Product Name: 4,4-DIMETHYL-1,3-CYCLOHEXANEDIONE
CAS No.: 562-46-9
Chemical Name: 4,4-DIMETHYL-1,3-CYCLOHEXANEDIONE
Synonyms: 1,3-Cyclohexanedione, 4,4-dimethyl-;4,4-Dimrthyl-1,3-cyclohexanedione;4,4-DIMETHYL-1,3-CYCLOHEXANEDIONE;4,4-DIMETHYL-CYCLOHEXANE-1,3-DIONE;4,4-Dimethyl-1,3-cyclohexanedione>4,4-Dimethyl-1,3-cyclohexanedione 98%;4,4-Dimethyl-1,3-cyclohexanedione,98%;4,4-Dimethyl-1,3-cyclohexanedione, GC 98%
CBNumber: CB5404377
Molecular Formula: C8H12O2
Formula Weight: 140.18
MOL File: 562-46-9.mol

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4,4-DIMETHYL-1,3-CYCLOHEXANEDIONE Property

Melting point:: 103-105 °C (lit.)
Boiling point:: 130 °C/7 mmHg (lit.)
Density: 1.0373 (rough estimate)
refractive index: 1.4960 (estimate)
storage temp.: Sealed in dry,Room Temperature
form: Needles
pka: 5.33±0.40(Predicted)
color: White

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Safety

WGK Germany: 3
HS Code: 29142900

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

Sigma-Aldrich

Product number: 341258
Product name: 4,4-Dimethyl-1,3-cyclohexanedione
Purity: 98%
Packaging: 5g
Price: $69.5
Updated: 2025/07/31

TCI Chemical

Product number: D2681
Product name: 4,4-Dimethyl-1,3-cyclohexanedione
Purity: >97.0%(GC)
Packaging: 5g
Price: $112
Updated: 2025/07/31

TRC

Product number: D477983
Product name: 4,4-Dimethyl-1,3-cyclohexanedione
Packaging: 50mg
Price: $45
Updated: 2021/12/16

AK Scientific

Product number: Z3773
Product name: 4,4-Dimethyl-1,3-cyclohexanedione
Packaging: 5g
Price: $45
Updated: 2021/12/16

Biosynth Carbosynth

Product number: FD03374
Product name: 4,4-Dimethyl-1,3-cyclohexanedione
Packaging: 2g
Price: $50
Updated: 2021/12/16

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4,4-DIMETHYL-1,3-CYCLOHEXANEDIONE Chemical Properties,Usage,Production

Chemical Properties

White needles

Uses

4,4-Dimethyl-1,3-cyclohexanedione was employed in the synthesis of series of 4-aryl-6,6-dimethyl-1,2,3,4,5,6,7,8- octahydroquinazoline-2,5-diones via Biginelli reaction.

General Description

Standard molar enthalpy of formation of 4,4-dimethyl-1,3-cyclohexanedione in the gaseous state at 298.15K has been determined.

Synthesis

563-80-4

140-88-5

562-46-9

Step i: Synthesis of 4,4-dimethyl-1,3-cyclohexanedione To a 100 mL round bottom flask was added 3-methyl-2-butanone (5.0 g, 58.05 mmol), potassium tert-butanol (13.0 g, 116.1 mmol) and tetrahydrofuran (50 mL). The reaction mixture was cooled to 0 °C. Ethyl acrylate (5.8 g, 58.05 mmol) was slowly added dropwise at 0 °C. After the dropwise addition, the reaction mixture was stirred at room temperature for 20 minutes. Upon completion of the reaction, the reaction was quenched with saturated aqueous ammonium chloride solution and extracted with ethyl acetate (3 × 20 mL). The organic phases were combined, washed with saturated brine and dried over anhydrous sodium sulfate. The solvent was removed by concentration under reduced pressure to give the crude product. The crude product was purified by column chromatography (silica gel 60-120 mesh, eluent: hexane solution of 50% ethyl acetate) to afford 4,4-dimethyl-1,3-cyclohexanedione (4.0 g, 49.2% yield). NMR (300 MHz, CDCl3): δ 3.28 (s, 2H), 2.64 (t, 2H), 1.87 (t, 2H), 1.22 (s, 6H); LC-MS: 141.0 [M + H]+.

References

[1] Journal of Organic Chemistry, 2001, vol. 66, # 24, p. 8000 - 8009
[2] Patent: WO2015/101928, 2015, A1. Location in patent: Page/Page column 104; 105
[3] Patent: WO2015/83130, 2015, A1. Location in patent: Page/Page column 30
[4] Journal of the American Chemical Society, 1968, vol. 90, p. 4085 - 4088
[5] European Journal of Organic Chemistry, 2012, # 4, p. 673 - 677

4,4-DIMETHYL-1,3-CYCLOHEXANEDIONE Preparation Products And Raw materials

Raw materials

Preparation Products

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4,4-DIMETHYL-1,3-CYCLOHEXANEDIONE Suppliers

Americas 1 Belgium 4 Canada 1 China 65 Europe 2 Germany 3 India 7 Japan 4 Slovakia 1 Switzerland 3 The Netherlands 1 United Kingdom 11 United States 19 Global 122

Acros Organics (Part of Thermo Fisher Scientific )

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Acros Organics

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562-46-9, 4,4-DIMETHYL-1,3-CYCLOHEXANEDIONERelated Search:

2-HYDROXYETHYL-5,5-DIMETHYL-1,3-CYCLOHEXANEDIONE,2-(1-HYDROXYETHYLIDENE)-5,5-DIMETHYL-1,3-CYCLOHEXANEDIONE Dimedone 3,5-HEPTANEDIONE 2,2-DIMETHYL-3,5-HEXANEDIONE 4,4-DIMETHYL-1,3-CYCLOHEXANEDIONE 1,3-Cyclohexanedione Dimethyl 1,4-cyclohexanedione-2,5-dicarboxylate, 99+%,DIMETHYL 1,4-CYCLOHEXANEDIONE-2,5-DICARBPXYLATE,DIMETHYL 1,4-CYCLOHEXANEDIONE-2,5-DICARBOXYLATE FEMA 3269 Cyclohexane 2-Bromo-5,5-dimethyl-1,3-cyclohexanedione 4,4-DIPHENYL-CYCLOHEXANE-1,3-DIONE 2-ISOPROPYLIDENE-5,5-DIMETHYL-1,3-CYCLOHEXANEDIONE 2-CHLORO-5,5-DIMETHYL-1,3-CYCLOHEXANEDIONE 5,5-DIMETHYL-1,3-CYCLOHEXANEDIONE DIOXIME 2,2-DIFLUORO-5,5-DIMETHYL-1,3-CYCLOHEXANEDIONE MONOHYDRATE 2-ACETYL-5,5-DIMETHYL-1,3-CYCLOHEXANEDIONE 2,2-Dimethyl-1,3-cyclohexanedione HEXAMETHYLCYCLOHEXANE-1,3,5-TRIONE

4,4-DIMETHYL-CYCLOHEXANE-1,3-DIONE

4,4-DIMETHYL-1,3-CYCLOHEXANEDIONE

4,4-Dimethyl-1,3-cyclohexanedione, GC 98%

4,4-Dimethyl-1,3-cyclohexanedione,98%

4,4-Dimrthyl-1,3-cyclohexanedione

4,4-Dimethyl-1,3-cyclohexanedione 98%

4,4-Dimethyl-1,3-cyclohexanedione&gt

1,3-Cyclohexanedione, 4,4-dimethyl-

562-46-9

Carbonyl Compounds

C7 to C8

Building Blocks

Ketones

Organic Building Blocks

C7 to C8

Carbonyl Compounds

Ketones