5-Pentadecanone

Base Information

• Chemical Name: 5-Pentadecanone
• CAS No.: 92862-23-2
• Molecular Formula: C15H30O
• Molecular Weight: 226.403
• NSC Number: 158428
• DSSTox Substance ID: DTXSID40303466
• Nikkaji Number: J597.981A
• Wikidata: Q82048781
• Mol file: 92862-23-2.mol

Synonyms:5-Pentadecanone;92862-23-2;pentadecan-5-one;NSC158428;SCHEMBL3411843;DTXSID40303466;NADMBULPSVEFAV-UHFFFAOYSA-N;AKOS017958802;NSC-158428

Chemical Property of 5-Pentadecanone

Chemical Property:

• Vapor Pressure: 0.00182mmHg at 25°C
• Boiling Point: 292.6°Cat760mmHg
• Flash Point: 83.1°C
• Density: 0.828g/cm³
• XLogP3: 6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 12
• Exact Mass: 226.229665576
• Heavy Atom Count: 16
• Complexity: 152

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCCCC(=O)CCCC

Technology Process of 5-Pentadecanone

There total 11 articles about 5-Pentadecanone 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: 95.0%

pentadec-14-en-5-ol (612069-79-1) → pentadecan-5-one (92862-23-2)

Guidance literature:

bis(triphenylphosphine)dichlororhodium; In water; N,N-dimethyl-formamide; for 0.25h; under 10343 Torr; Heating; microwave irradiation;

DOI:10.1016/j.tetlet.2003.10.032

Reference yield: 91.0%

n-butyllithium (109-72-8,29786-93-4) + ethyl undecanoate (627-90-7) → pentadecan-5-one (92862-23-2)

Guidance literature:

ethyl undecanoate; With morpholine; diisobutylaluminium hydride; In tetrahydrofuran; hexane; at 0 ℃; for 3.16667h; Inert atmosphere;

n-butyllithium; In tetrahydrofuran; hexane; at 0 ℃; for 0.166667h; Inert atmosphere;

DOI:10.1016/j.tet.2014.03.045

Reference yield: 87.0%

5-hydroxy-5-(trimethylsilyl)pentadecane (142981-62-2) → pentadecan-5-one (92862-23-2)

Guidance literature:

With tetraethylammonium tosylate; In methanol; Ambient temperature; electrolysis;

DOI:10.1021/jo00044a023

upstream raw materials:

1-iodo-butane

undecanoyl chloride

di-n-butylcadmium

pentanal

Downstream raw materials:

pentadecane