2-Cyclohexen-1-one, 4-ethyl-4-methyl-

Base Information

• Chemical Name: 2-Cyclohexen-1-one, 4-ethyl-4-methyl-
• CAS No.: 17429-32-2
• Molecular Formula: C₉H₁₄O
• Molecular Weight: 138.21
• Hs Code.: 2914299000
• Mol file: 17429-32-2.mol

Synonyms:4-Ethyl-4-methyl-2-cyclohexen-1-one

Chemical Property of 2-Cyclohexen-1-one, 4-ethyl-4-methyl-

Chemical Property:

• Boiling Point: 73-78 °C(Press: 5 Torr)
• PSA: 17.07000
• Density: 0.907±0.06 g/cm3(Predicted)
• LogP: 2.32180

Purity/Quality:

≥95% ^*data from raw suppliers

4-ethyl-4-methylcyclohex-2-enone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-Cyclohexen-1-one, 4-ethyl-4-methyl-

There total 11 articles about 2-Cyclohexen-1-one, 4-ethyl-4-methyl- 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: 65.0%

2-Methylbutyraldehyde (96-17-3,57456-98-1) + methyl vinyl ketone (78-94-4,25038-87-3) → 4-ethyl-4-methyl-2-cyclohexene-1-one (17429-32-2,24432-30-2)

Guidance literature:

With sulfuric acid; In benzene; 1.) room temp. to reflux, 1h, 2.) reflux, 3h;

DOI:10.1021/jo01314a048

Reference yield: 52.0%

2-ethyl-2-methyl-5-oxohexanal (70105-73-6) → 4-ethyl-4-methyl-2-cyclohexene-1-one (17429-32-2,24432-30-2)

Guidance literature:

With sodium hydroxide; for 3h; Ambient temperature;

Reference yield:

5-methyl-dihydro-furan-2-one (108-29-2) → 1-butylene (106-98-9,9003-28-5) + 4-ethyl-4-methyl-2-cyclohexene-1-one (17429-32-2,24432-30-2)

Guidance literature:

With niobium(V) oxide hydrate; at 320 ℃; under 760.051 Torr; Reagent/catalyst;

DOI:10.1038/s41563-019-0562-6

upstream raw materials:

2-ethyl-2-methyl-5-oxohexanal

2-Methylbutyraldehyde

methyl vinyl ketone

(Z)-1-dimethyl(phenyl)silyl-2-methylbut-1-ene

Downstream raw materials:

1-Ethyl-4,4-dimethoxy-1-methyl-cyclohexane

4-Ethyl-4-methyl-2,5-cyclohexadien-1-on

4-ethyl-4-methylcyclohexan-1-one

Refernces

• 1、 Bistoni, Giovanni,Das, Sayantani,De, Chandra Kanta,Ghosh, Santanu,Leutzsch, Markus,List, Benjamin,Neese, Frank,Yepes, Diana. "Strong and Confined Acids Control Five Stereogenic Centers in Catalytic Asymmetric Diels–Alder Reactions of Cyclohexadienones with Cyclopentadiene". supporting information. p. 12347 - 12351. Retrieved 2020/03/23.
• 2、 Bokka, Apparao,Mao, James X.,Hartung, John,Martinez, Steven R.,Simanis, Justin A.,Nam, Kwangho,Jeon, Junha,Shen, Xiaoqiang. "Asymmetric Synthesis of Remote Quaternary Centers by Copper-Catalyzed Desymmetrization: An Enantioselective Total Synthesis of (+)-Mesembrine". supporting information. p. 5158 - 5162. Retrieved 2018/09/13.