5,5-dimethyl-2-prop-2-enyl-cyclohexane-1,3-dione

Base Information

• Chemical Name: 5,5-dimethyl-2-prop-2-enyl-cyclohexane-1,3-dione
• CAS No.: 1131-02-8
• Molecular Formula: C11H16 O2
• Molecular Weight: 180.247
• Hs Code.: 2914299000
• Mol file: 1131-02-8.mol

Synonyms:1,3-Cyclohexanedione,2-allyl-5,5-dimethyl- (6CI,7CI,8CI); 1,3-Cyclohexanedione,5,5-dimethyl-2-(2-propenyl)- (9CI); 2-Allyl-5,5-dimethyl-1,3-cyclohexanedione;2-Allyldimedone; NSC 242995

Chemical Property of 5,5-dimethyl-2-prop-2-enyl-cyclohexane-1,3-dione

Chemical Property:

• Vapor Pressure: 0.00985mmHg at 25°C
• Boiling Point: 264.2°Cat760mmHg
• Flash Point: 97.7°C
• PSA: 34.14000
• Density: 0.963g/cm³
• LogP: 2.13690

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 5,5-dimethyl-2-prop-2-enyl-cyclohexane-1,3-dione

There total 5 articles about 5,5-dimethyl-2-prop-2-enyl-cyclohexane-1,3-dione 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: 86.0%

Allyl acetate (591-87-7) + dimedone (126-81-8) → 2-allyl-5,5-dimethylcyclohexane-1,3-dione (1131-02-8)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; In methanol;

Reference yield: 48.0%

dimedone (126-81-8) + allyl alcohol (107-18-6) → 2-allyl-5,5-dimethylcyclohexane-1,3-dione (1131-02-8) + 5,5-dimethyl-2,2-diallylcyclohexane-1,3-dione (28627-36-3)

Guidance literature:

With potassium carbonate; at 70 ℃; for 17h; Catalytic behavior; Green chemistry;

DOI:10.1002/cctc.201801097

Reference yield:

dimedone (126-81-8) + allyl bromide (106-95-6) → 2-allyl-5,5-dimethylcyclohexane-1,3-dione (1131-02-8)

Guidance literature:

With potassium hydroxide; copper;

upstream raw materials:

dimedone

allyl bromide

Allyl acetate

allyl iodid

Downstream raw materials:

5,5-dimethyl-2,2-diallylcyclohexane-1,3-dione

2-Allyl-3-bromo-5,5-dimethyl-2-cyclohexenone

1-benzyl-2,6,6-trimethyl-6,7-dihydro-4(5H)-indolone

2-allyl-3-hydroxy-5,5-dimethylcyclohex-1-enyl trifluoromethanesulfonate

Refernces

• 1、 Zhao, Cheng-Long,Yang, Jing,Han, Zhou-Zhou,Zhang, Cheng-Pan. "Structure-dependent selective O- or C-trifluoroethylation of 1,3-dicarbonyls by mesityl(2,2,2-trifluoroethyl)iodonium triflate". supporting information. p. 23 - 30. Retrieved 2017/10/30.
• 2、 Lapitskaya, M. A.,Pivnitskii, K. K.. "C-ALLYLATION OF CYCLIC β-DIKETONES IN AN ACIDIC MEDIUM WITH CATALYSIS BY Pd(0)". . p. 1665 - 1668. Retrieved 2007/10/02.