1,8-Cyclohexadecanedione

Base Information

• Chemical Name: 1,8-Cyclohexadecanedione
• CAS No.: 17853-46-2
• Molecular Formula: C16H28O2
• DSSTox Substance ID: DTXSID20468567
• Wikidata: Q82295826
• Mol file: 17853-46-2.mol

Synonyms:1,8-Cyclohexadecanedione;17853-46-2;1,8-cyclo-hexadecanedione;SCHEMBL1905857;DTXSID20468567;SSRUWICMOKOXLR-UHFFFAOYSA-N

Chemical Property of 1,8-Cyclohexadecanedione

Chemical Property:

• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 252.208930132
• Heavy Atom Count: 18
• Complexity: 220

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCCCC(=O)CCCCCCC(=O)CCC1

Technology Process of 1,8-Cyclohexadecanedione

There total 1 articles about 1,8-Cyclohexadecanedione 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:

(E/Z)-cyclohexa-dec-8-enone (3100-36-5) → 1,9-diketocyclohexadecane (31067-25-1) + cyclohexadecane-1,8-dione (17853-46-2)

Guidance literature:

With Iron(III) nitrate nonahydrate; palladium(II) nitrate dihydrate; oxygen; toluene-4-sulfonic acid; In N,N-dimethyl acetamide; water; acetonitrile; at 20 ℃; for 20h; under 3750.38 Torr; Autoclave;

DOI:10.1039/c9ra04971a

upstream raw materials:

(E/Z)-cyclohexa-dec-8-enone

Refernces