4,4-DIMETHYL-1,3-CYCLOHEXANEDIONE

Base Information

• Chemical Name: 4,4-DIMETHYL-1,3-CYCLOHEXANEDIONE
• CAS No.: 562-46-9
• Molecular Formula: C8H12O2
• Molecular Weight: 140.182
• Hs Code.: 29142900
• Mol file: 562-46-9.mol

Synonyms:4,4-Dimethyl-1,3-cyclohexanedione;4,4-Dimethylcyclohexane-1,3-dione;

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

Chemical Property:

• Appearance/Colour: White needles
• Vapor Pressure: 0.00575mmHg at 25°C
• Melting Point: 103-105 °C(lit.)
• Refractive Index: 1.452
• Boiling Point: 273.4 °C at 760 mmHg
• PKA: 5.33±0.40(Predicted)
• Flash Point: 85.1 °C
• Density: 1.016 g/cm³
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

97% ^*data from raw suppliers

4,4-Dimethyl-1,3-cyclohexanedione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• 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.

Technology Process of 4,4-DIMETHYL-1,3-CYCLOHEXANEDIONE

There total 11 articles about 4,4-DIMETHYL-1,3-CYCLOHEXANEDIONE which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.0%

3-methyl-butan-2-one (563-80-4) + tert-Butyl acrylate (1663-39-4,25232-27-3) → 4,4-dimethylcyclohexane-1,3-dione (562-46-9)

Guidance literature:

With potassium tert-butylate; In tetrahydrofuran; at 25 ℃; for 0.5h;

DOI:10.1021/jo010325d

Reference yield: 85.0%

3-methyl-butan-2-one (563-80-4) + ethyl acrylate (140-88-5,9003-32-1) → 4,4-dimethylcyclohexane-1,3-dione (562-46-9)

Guidance literature:

With potassium tert-butylate; In tetrahydrofuran; at 25 ℃; for 0.5h;

DOI:10.1021/jo010325d

Reference yield: 50.0%

methyl 2,2-dimethyl-5-oxohexanoate (86289-92-1) → 4,4-dimethylcyclohexane-1,3-dione (562-46-9)

Guidance literature:

With sodium methylate; In diethyl ether; at 5 - 20 ℃;

upstream raw materials:

methyl 2,2-dimethyl-5-oxohexanoate

2,2-dimethyl-5-oxo-hexanoic acid ethyl ester

5,5-dimethyl-6-methylenetetrahydropropan-2-one

3-methyl-butan-2-one

Downstream raw materials:

3-isobutyloxy-6,6-dimethylcyclohex-2-en-1-one

4,4-Dimethyl-2-phenylsulfanyl-cyclohexane-1,3-dione

4,4-Dimethyl-2,2-bis-phenylsulfanyl-cyclohexane-1,3-dione

3-methoxy-6,6-dimethylcyclohex-2-en-1-one