2-ACETYL-5-OXO-HEXANOIC ACID ETHYL ESTER

Base Information

• Chemical Name: 2-ACETYL-5-OXO-HEXANOIC ACID ETHYL ESTER
• CAS No.: 35490-05-2
• Molecular Formula: C10H16 O4
• Molecular Weight: 200.235
• Hs Code.: 2918300090
• Mol file: 35490-05-2.mol

Synonyms:Ethyl2-acetyl-5-oxohexanoate

Chemical Property of 2-ACETYL-5-OXO-HEXANOIC ACID ETHYL ESTER

Chemical Property:

• Vapor Pressure: 0.000896mmHg at 25°C
• Boiling Point: 304°C at 760 mmHg
• Flash Point: 131.5°C
• PSA: 60.44000
• Density: 1.044g/cm³
• LogP: 1.12390

Purity/Quality:

99.90% ^*data from raw suppliers

ETHYL 2-ACETYL-5-OXOHEXANOATE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-ACETYL-5-OXO-HEXANOIC ACID ETHYL ESTER

There total 6 articles about 2-ACETYL-5-OXO-HEXANOIC ACID ETHYL ESTER 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%

ethyl acetoacetate (141-97-9) + methyl vinyl ketone (78-94-4,25038-87-3) → 2-acetyl-5-oxohexanoic acid ethyl ester (35490-05-2)

Guidance literature:

With silica gel; In neat (no solvent); at 0 - 90 ℃; for 8h;

DOI:10.1016/j.tetlet.2020.152142

Reference yield: 26.0%

ethyl acetoacetate (141-97-9) + methyl vinyl ketone (78-94-4,25038-87-3) → 3-hydroxy-2,7-octanedione (90370-96-0) + 2-acetyl-5-oxohexanoic acid ethyl ester (35490-05-2)

Guidance literature:

With cetyltrimethylammonim bromide; In water; at 70 ℃; for 72h;

Reference yield:

(1R,2S)-1,2-Diacetyl-cyclopropanecarboxylic acid ethyl ester → 2-acetyl-5-oxohexanoic acid ethyl ester (35490-05-2)

Guidance literature:

With lithium dimethylcuprate; at -10 ℃; for 0.25h;

DOI:10.1016/S0040-4039(01)82396-0

upstream raw materials:

1-Hydroxy-3-butanone

ethyl acetoacetate

methyl vinyl ketone

Downstream raw materials:

ethyl 2,6-dimethylnicotinate

ethyl 6-methylpyridazine-3-carboxylate

ethyl 1-benzyl-5-methyl-1H-pyrrole-2-carboxylate

ethyl 5-methyl-1H-pyrrole-2-carboxylate

Refernces

• 1、 dos Passos Gomes, Gabriel,Yaremenko, Ivan A.,Radulov, Peter S.,Novikov, Roman A.,Chernyshev, Vladimir V.,Korlyukov, Alexander A.,Nikishin, Gennady I.,Alabugin, Igor V.,Terent'ev, Alexander O.. "Stereoelectronic Control in the Ozone-Free Synthesis of Ozonides". . p. 4955 - 4959. Retrieved 2017.
• 2、 Tanemura, Kiyoshi,Rohand, Taoufik. "Silica gel-mediated catalyst-free and solvent-free Michael addition of 1,3-dicarbonyl compounds to highly toxic methyl vinyl ketone without volatilization". supporting information. . Retrieved 2020/06/28.
• 3、 Simion, Andrada,Candu, Natalia,Coman, Simona M.,Primo, Ana,Esteve-Adell, Ivan,Michelet, Véronique,Parvulescu, Vasile I.,Garcia, Hermenegildo. "Bimetallic Oriented (Au/Cu2O) vs. Monometallic 1.1.1 Au (0) or 2.0.0 Cu2O Graphene-Supported Nanoplatelets as Very Efficient Catalysts for Michael and Henry Additions". . p. 6185 - 6190. Retrieved 2018/12/05.