Heptadecan-6-one

Base Information

• Chemical Name: Heptadecan-6-one
• CAS No.: 22026-13-7
• Molecular Formula: C17H34 O
• Molecular Weight: 254.456
• Hs Code.: 2914190090
• European Community (EC) Number: 244-729-4
• NSC Number: 158527
• DSSTox Substance ID: DTXSID20176493
• Nikkaji Number: J225.523E
• Wikidata: Q83046820
• Mol file: 22026-13-7.mol

Synonyms:Heptadecan-6-one;6-Heptadecanone;22026-13-7;EINECS 244-729-4;NSC158527;SCHEMBL3414307;DTXSID20176493;AKOS024333810;NSC 158527;NSC-158527

Chemical Property of Heptadecan-6-one

Chemical Property:

• Vapor Pressure: 0.000275mmHg at 25°C
• Melting Point: 46.67°C (estimate)
• Refractive Index: 1.4465 (estimate)
• Boiling Point: 322.7°Cat760mmHg
• Flash Point: 83.6°C
• PSA: 17.07000
• Density: 0.83g/cm³
• LogP: 6.05670
• XLogP3: 7.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 14
• Exact Mass: 254.260965704
• Heavy Atom Count: 18
• Complexity: 174

Purity/Quality:

99% ^*data from raw suppliers

6-HEPTADECANONE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCC(=O)CCCCC

Technology Process of Heptadecan-6-one

There total 5 articles about Heptadecan-6-one 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: 69.0%

6-heptadecanol (112283-13-3) → heptadecan-6-one (22026-13-7)

Guidance literature:

With pyridine; iso-butyl hydroperoxide; C₂₄H₂₆FeN₆⁽²⁺⁾*2CF₃O₃S^(1-); In water; acetonitrile; at 20 ℃; for 5h; Inert atmosphere;

DOI:10.1002/cplu.201200244

Reference yield:

heptadeca-1,7t,9t-triene-11,13,15-triyn-6-one (59950-69-5) → heptadecan-6-one (22026-13-7)

Guidance literature:

With hydrogen; palladium on barium sulfate; In diethyl ether;

Reference yield:

heptadeca-1,7t,9t-triene-11,13,15-triyn-6-ol (16697-23-7) → heptadecan-6-one (22026-13-7)

Guidance literature:

Multi-step reaction with 2 steps

1: MnO₂ / diethyl ether

2: H₂ / Pd-BaSO₄ / diethyl ether

With manganese(IV) oxide; hydrogen; palladium on barium sulfate; In diethyl ether;

upstream raw materials:

amyl iodide

heptadeca-1,7t,9t-triene-11,13,15-triyn-6-one

undecyl cyanide

heptadeca-1,7t,9t-triene-11,13,15-triyn-6-ol

Downstream raw materials:

6-heptadecanol

Refernces

• 1、 Lenze, Matthew,Sedinkin, Sergey L.,Bauer, Eike B.. "Polydentate pyridyl ligands and the catalytic activity of their iron(II) complexes in oxidation reactions utilizing peroxides as the oxidants". . p. 161 - 171. Retrieved 2013/06/27.