3-Eicosanone

Base Information

• Chemical Name: 3-Eicosanone
• CAS No.: 2955-56-8
• Molecular Formula: C20H40 O
• Molecular Weight: 296.537
• Hs Code.: 2914190090
• NSC Number: 406005
• DSSTox Substance ID: DTXSID10183732
• Nikkaji Number: J108.285J
• Wikidata: Q83054548
• Mol file: 2955-56-8.mol

Synonyms:3-EICOSANONE;icosan-3-one;2955-56-8;3-Icosanone;eicosanone-3;3-Icosanone #;NSC406005;SCHEMBL3122593;DTXSID10183732;BWVLRRQCABCGBO-UHFFFAOYSA-N;AKOS024334046;NSC 406005;NSC-406005

Chemical Property of 3-Eicosanone

Chemical Property:

• Vapor Pressure: 4.26E-05mmHg at 25°C
• Melting Point: 39°C (estimate)
• Refractive Index: 1.4536 (estimate)
• Boiling Point: 350.9°Cat760mmHg
• Flash Point: 65.3°C
• PSA: 17.07000
• Density: 0.833g/cm³
• LogP: 7.22700
• XLogP3: 8.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 17
• Exact Mass: 296.307915895
• Heavy Atom Count: 21
• Complexity: 210

Purity/Quality:

99% ^*data from raw suppliers

3-EICOSANONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)CC

Technology Process of 3-Eicosanone

There total 9 articles about 3-Eicosanone 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: 77.0%

1-eicosene-3-one (55212-78-7) → Eicosan-3-one (2955-56-8)

Guidance literature:

With tri-n-butyl-tin hydride; silica gel; In dichloromethane; for 24h; Ambient temperature;

DOI:10.1021/jo00102a048

Reference yield: 50.0%

1-eicosene-3-one (55212-78-7) → 3-Hydroxyeicosane (159117-39-2) + Eicosan-3-one (2955-56-8)

Guidance literature:

With tri-n-butyl-tin hydride; silica gel; In dichloromethane; for 24h; Ambient temperature;

DOI:10.1021/jo00102a048

Reference yield:

3-hydroxy-1-eicosen (56216-20-7) → Eicosan-3-one (2955-56-8) + 1-eicosene-3-one (55212-78-7)

Guidance literature:

With sodium carbonate; adogen 464; palladium dichloride; In 1,2-dichloro-ethane; for 24h; Yield given. Yields of byproduct given; Heating;

DOI:10.1016/0040-4039(95)00286-3

upstream raw materials:

ethylmagnesium bromide

sodium stearate

ethyl iodide

propionic acid

Downstream raw materials:

icosane

Refernces

• 1、 Figadere,Chaboche,Franck,Peyrat,Cave. "Carbonyl reduction of functionalized aldehydes and ketones by tri-n-butyltin hydride and SiO2". . p. 7138 - 7141. Retrieved 2007/10/02.