5-Tridecanone

Base Information

• Chemical Name: 5-Tridecanone
• CAS No.: 30692-16-1
• Molecular Formula: C13H26 O
• Molecular Weight: 198.349
• Hs Code.: 2914190090
• European Community (EC) Number: 250-298-3
• NSC Number: 158430
• UNII: 9NGA9IM4WZ
• DSSTox Substance ID: DTXSID00952934
• Nikkaji Number: J102.215F
• Wikidata: Q82931659
• Mol file: 30692-16-1.mol

Synonyms:5-Tridecanone;Tridecan-5-one;30692-16-1;9NGA9IM4WZ;EINECS 250-298-3;EINECS 260-910-0;NSC-158430;57702-05-3;AI3-38183;NSC158430;UNII-9NGA9IM4WZ;SCHEMBL6041084;DTXSID00952934;AKOS006274343;NSC 158430;F73182

Chemical Property of 5-Tridecanone

Chemical Property:

• Vapor Pressure: 0.0121mmHg at 25°C
• Boiling Point: 260.7°Cat760mmHg
• Flash Point: 79.7°C
• PSA: 17.07000
• Density: 0.825g/cm³
• LogP: 4.49630
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 10
• Exact Mass: 198.198365449
• Heavy Atom Count: 14
• Complexity: 129

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Aliphatic Ketones, Other
• Canonical SMILES: CCCCCCCCC(=O)CCCC

Technology Process of 5-Tridecanone

There total 14 articles about 5-Tridecanone 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: 88.0%

pentanal (110-62-3) + oct-1-ene (111-66-0,25068-25-1) → tridecane-5-one (30692-16-1)

Guidance literature:

With N-hydroxyphthalimide; dibenzoyl peroxide; In toluene; at 80 ℃; for 18h;

DOI:10.1039/b107548a

Reference yield: 80.0%

Tridecan-5-ol (58783-82-7) → tridecane-5-one (30692-16-1)

Guidance literature:

With chromic acid;

Reference yield: 75.0%

n-butyllithium (109-72-8,29786-93-4) + carbon dioxide (124-38-9,18923-20-1) + octylmagnesium bromide (17049-49-9) → tridecane-5-one (30692-16-1)

Guidance literature:

octylmagnesium bromide; With iodine; lithium chloride; In tetrahydrofuran; Inert atmosphere; Cooling with ice;

carbon dioxide; In tetrahydrofuran; at 20 ℃; for 0.0166667h; under 5171.62 Torr; Flow reactor;

n-butyllithium; Further stages;

DOI:10.1002/anie.201405014

upstream raw materials:

2-amino-2-butyl-decanoic acid ethyl ester

Tridecan-5-ol

dipentylzinc

1-iodo-4-octanone

Downstream raw materials:

Tridecan-5-ol