diethyl (3-oxocyclohexyl)propanedioate

Base Information

• Chemical Name: diethyl (3-oxocyclohexyl)propanedioate
• CAS No.: 22274-75-5
• Molecular Formula: C13H20 O5
• Molecular Weight: 256.299
• Mol file: 22274-75-5.mol

Synonyms:Cyclohexanemalonicacid, 3-oxo-, diethyl ester (6CI,8CI); Propanedioic acid, (3-oxocyclohexyl)-,diethyl ester (9CI); Diethyl (3-oxocyclohexyl)malonate; NSC 246180

Chemical Property of diethyl (3-oxocyclohexyl)propanedioate

Chemical Property:

• Vapor Pressure: 0.000101mmHg at 25°C
• Boiling Point: 338°Cat760mmHg
• Flash Point: 146°C
• Density: 1.123g/cm³

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of diethyl (3-oxocyclohexyl)propanedioate

There total 12 articles about diethyl (3-oxocyclohexyl)propanedioate 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: 100.0%

cyclohexenone (930-68-7) + diethyl malonate (105-53-3) → 1,3-diethyl 2-(3-oxocyclohexyl)propanedioate (22274-75-5)

Guidance literature:

With hydrotalcite; at 80 ℃; for 6h;

Reference yield: 92.0%

cyclohexenone (930-68-7) + Diethyl 2-bromomalonate (685-87-0) → 1,3-diethyl 2-(3-oxocyclohexyl)propanedioate (22274-75-5)

Guidance literature:

With indium; chloro-trimethyl-silane; In tetrahydrofuran; at 20 ℃; for 0.5h; Further Variations:; Reagents; Solvents; Product distribution;

DOI:10.1021/jo026600t

Reference yield: 90.0%

((Si(CH3)3O)C(CH2)3CHCH)Fe(CO)2NO + sodium diethylmalonate (996-82-7) → 1,3-diethyl 2-(3-oxocyclohexyl)propanedioate (22274-75-5)

Guidance literature:

In tetrahydrofuran; Stirring of mixt. at room temp. for 15 h.; Extg. (ether), washing of ext. (aq. HCL, H2O), drying (Na2SO4), evapn., chromy. (hexane-ethyl acetate), elem. anal.;

DOI:10.1246/bcsj.64.2965

upstream raw materials:

sodium diethylmalonate

cyclohexenone

ethanol

diethyl malonate

Downstream raw materials:

C₃₀H₄₀N₂O₅

(S)-3-[bis(ethoxycarbonyl)methyl]cyclohexenone

α-(3-Methyl-cyclohex-2-en-1-yl)-malonsaeurediethylester

(±)-diethyl 2-(3-(tosyloxyimino)cyclohexyl)malonate