3-ETHYL-2-PENTANONE

Base Information

• Chemical Name: 3-ETHYL-2-PENTANONE
• CAS No.: 6137-03-7
• Molecular Formula: C7H14 O
• Molecular Weight: 114.188
• European Community (EC) Number: 228-112-7
• DSSTox Substance ID: DTXSID5064122
• Nikkaji Number: J227.319E
• Wikidata: Q81991266
• Mol file: 6137-03-7.mol

Synonyms:3-Acetylpentane;3-Ethyl-2-pentanone

Chemical Property of 3-ETHYL-2-PENTANONE

Chemical Property:

• Vapor Pressure: 6.62mmHg at 25°C
• Melting Point: -46.2°C (estimate)
• Refractive Index: 1.4050
• Boiling Point: 138.8°C at 760 mmHg
• Flash Point: 31°C
• PSA: 17.07000
• Density: 0.806g/cm³
• LogP: 2.01160
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 114.104465066
• Heavy Atom Count: 8
• Complexity: 72.5

Purity/Quality:

99%min ^*data from raw suppliers

3-Ethylpentan-2-one 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(CC)C(=O)C

Technology Process of 3-ETHYL-2-PENTANONE

There total 55 articles about 3-ETHYL-2-PENTANONE 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: 45.0%

methylmagnesium bromide (75-16-1) + 2-ethyl-N-methoxy-N-methylbutanamide → 3-ethyl-2-pentanone (6137-03-7)

Guidance literature:

With N,N'-carbonyl diimidazole; In tetrahydrofuran; at -78 - 0 ℃; for 5h;

Reference yield: 38.0%

ethyl 2,2-diethyl-3-oxobutanoate (1619-57-4) → 2-Ethylbutanoic acid (88-09-5) + 3-ethyl-2-pentanone (6137-03-7)

Guidance literature:

With barium dihydroxide; In water; for 18h; Heating;

DOI:10.1016/S0040-4020(01)85889-0

Reference yield: 37.0%

trifluoromethanesulfonic acid ethyl ester (425-75-2) + acetone (67-64-1) → 4-heptanone (123-19-3) + 3-ethyl-2-pentanone (6137-03-7) + 3-ethylheptan-4-one (1528-25-2)

Guidance literature:

With n-butyllithium; potassium hydride; In diethyl ether;

DOI:10.1021/jo00080a042

upstream raw materials:

2,3-Dihydroxy-3-ethyl-pentan

3-ethyl-2,3-dibromo-pentane

ethanol

ethyl 2,2-diethyl-3-oxobutanoate

Downstream raw materials:

3,7-diethyl-5-methyl-4,6-nonanedione

Leiokinine B

acetic acid

propionic acid

Refernces

• 1、 Takács, Stephen,Gries, Regine,Zhai, Huimin,Gries, Gerhard. "The Sex Attractant Pheromone of Male Brown Rats: Identification and Field Experiment". . p. 6062 - 6066. Retrieved 2016.
• 2、 Kubota, Koji,Osaki, Shun,Jin, Mingoo,Ito, Hajime. "Copper(I)-Catalyzed Enantioselective Nucleophilic Borylation of Aliphatic Ketones: Synthesis of Enantioenriched Chiral Tertiary α-Hydroxyboronates". supporting information. p. 6646 - 6650. Retrieved 2017/05/29.