2-Hexadecylcyclohexane-1,4-dione

Base Information

Chemical Name:2-Hexadecylcyclohexane-1,4-dione
CAS No.:139117-49-0
Molecular Formula:C22H40O2
Molecular Weight:336.558
Hs Code.:
DSSTox Substance ID:DTXSID50577035
Nikkaji Number:J1.595.599F

Synonyms:139117-49-0;2-HEXADECYLCYCLOHEXANE-1,4-DIONE;DTXSID50577035

Suppliers and Price of 2-Hexadecylcyclohexane-1,4-dione

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 2-Hexadecylcyclohexane-1,4-dione

Chemical Property:

XLogP3:7.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:15
Exact Mass:336.302830514
Heavy Atom Count:24
Complexity:335

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCCCCCCCCCCCCC1CC(=O)CCC1=O

Technology Process of 2-Hexadecylcyclohexane-1,4-dione

There total 1 articles about 2-Hexadecylcyclohexane-1,4-dione 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: 41.0%

: 544-77-4
1-iodohexadecane

: 2785-98-0
2,5-dimethoxybenzoic acid

: 139117-49-0
hexadecyl-1,4-cyclohexanedione

Guidance literature:: 2,5-dimethoxybenzoic acid; With lithium; diethylamine; In tetrahydrofuran; N,N,N,N,N,N-hexamethylphosphoric triamide; at 10 - 15 ℃; ultrasonic irradiation;

1-iodohexadecane; In tetrahydrofuran; N,N,N,N,N,N-hexamethylphosphoric triamide; for 1h;

With hydrogenchloride; In N,N,N,N,N,N-hexamethylphosphoric triamide; water; for 2.5h; Heating;
DOI:10.1081/SCC-100103524

Reference yield: 38.0%

: 139117-49-0
hexadecyl-1,4-cyclohexanedione

: 109-77-3
malononitrile

: 130420-96-1
hexadecyl-7,7,8,8-tetracyanoquinodimethane

Guidance literature:: hexadecyl-1,4-cyclohexanedione; malononitrile; With 3-amino propanoic acid; In tetrahydrofuran; water; for 7h; Heating;

With N-Bromosuccinimide; In acetonitrile; for 0.5h;

With pyridine; In water; acetonitrile; for 0.166667h;
DOI:10.1081/SCC-100103524