ETHYL2-CYCLOHEXANONEPROPIONATE

Base Information

• Chemical Name: ETHYL2-CYCLOHEXANONEPROPIONATE
• CAS No.: 4095-02-7
• Molecular Formula: C11H18 O3
• Molecular Weight: 198.262
• Hs Code.: 2918300090
• Mol file: 4095-02-7.mol

Synonyms:Cyclohexanepropionic acid, 2-oxo-, ethyl ester(6CI,7CI,8CI); 2-(2-Ethoxycarbonylethyl)cyclohexanone;2-Oxocyclohexanepropanoic acid ethyl ester; Ethyl 3-(2-oxocyclohexyl)propanoate; Ethyl 3-(2-oxocyclohexyl)propionate; NSC 251078

Chemical Property of ETHYL2-CYCLOHEXANONEPROPIONATE

Chemical Property:

• Vapor Pressure: 0.00329mmHg at 25°C
• Boiling Point: 282.8°Cat760mmHg
• Flash Point: 120°C
• PSA: 43.37000
• Density: 1.024g/cm³
• LogP: 2.08900

Purity/Quality:

99% ^*data from raw suppliers

2-OxocyclohexanepropanoicAcidEthylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 2-Oxocyclohexanepropanoic Acid Ethyl Ester is an intermediate in the synthesis of Hexahydrocoumarin (H293905), a derivative of Coumarin (C755380) that is used as a fragrance ingredient.

Technology Process of ETHYL2-CYCLOHEXANONEPROPIONATE

There total 14 articles about ETHYL2-CYCLOHEXANONEPROPIONATE 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: 96.0%

1-(1-Cyclohexen-1-yl)pyrrolidine (1125-99-1) + ethyl acrylate (140-88-5,9003-32-1) → 3-(2-oxocyclohexyl)propionic acid ethyl ester (4095-02-7)

Guidance literature:

1-(1-Cyclohexen-1-yl)pyrrolidine; ethyl acrylate; In tetrahydrofuran; for 4h; Reflux;

With water; In tetrahydrofuran; for 4h; Reflux;

DOI:10.1021/ja1068036

Reference yield: 94.0%

cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) + ethyl acrylate (140-88-5,9003-32-1) → 3-(2-oxocyclohexyl)propionic acid ethyl ester (4095-02-7)

Guidance literature:

With pyrrolidine; acetic acid; 4-methoxy-phenol; at 130 ℃; for 2h;

DOI:10.1055/s-1997-4462

Reference yield: 79.0%

3-(1-Nitro-2-oxo-cyclohexyl)-propionic acid ethyl ester → 3-(2-oxocyclohexyl)propionic acid ethyl ester (4095-02-7)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); phenylsilane; tri-n-butyl-tin hydride; In toluene; at 80 ℃; for 8h;

DOI:10.1021/jo980789k

upstream raw materials:

1-(1-Cyclohexen-1-yl)pyrrolidine

ethyl acrylate

2,2-Dibutyl-3-cyclohex-1-enyl-[1,3,2]oxazastannolidine

3-(2-oxocyclohexyl)propionic acid

Downstream raw materials:

trans-octahydro-1-benzopyran-2-one

(+/-)-(4aR,8aR)-octahydro-2H-chromen-2-one

ethyl 3-(2-oxocyclohex-3-en-1-yl)propanoate

Refernces

• 1、 Christoffers, Jens,Dierks, Anna,Fliegel, Lukas,Schmidtmann, Marc. "Preparation of Hexahydrocarbazole Derivatives by Reductive Indolization". . p. 7164 - 7175. Retrieved 2020/11/30.
• 2、 Weidner, Karin,Giroult, Andre,Panchaud, Philippe,Renaud, Philippe. "Efficient carboazidation of alkenes using a radical desulfonylative azide transfer process". supporting information; experimental part. p. 17511 - 17515. Retrieved 2011/02/23.