1-(2,4,6-Trihydroxyphenyl)dodecan-1-one

Base Information

• Chemical Name: 1-(2,4,6-Trihydroxyphenyl)dodecan-1-one
• CAS No.: 6790-21-2
• Molecular Formula: C18H28O4
• Molecular Weight: 308.418
• ChEMBL ID: CHEMBL2204424
• DSSTox Substance ID: DTXSID80472261
• Metabolomics Workbench ID: 127198
• Nikkaji Number: J790.677C
• Wikidata: Q82301082

Synonyms:Dodecanoylphloroglucinol;1-(2,4,6-trihydroxyphenyl)dodecan-1-one;6790-21-2;Dodecanoylphloroglucin;1-Dodecanone, 1-(2,4,6-trihydroxyphenyl)-;CHEMBL2204424;SCHEMBL14831864;DTXSID80472261;C18H28O4

Chemical Property of 1-(2,4,6-Trihydroxyphenyl)dodecan-1-one

Chemical Property:

• XLogP3: 6.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 11
• Exact Mass: 308.19875937
• Heavy Atom Count: 22
• Complexity: 294

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCC(=O)C1=C(C=C(C=C1O)O)O

Technology Process of 1-(2,4,6-Trihydroxyphenyl)dodecan-1-one

There total 3 articles about 1-(2,4,6-Trihydroxyphenyl)dodecan-1-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: 78.0%

3,5-dihydroxyphenol (108-73-6) + lauric anhydride (645-66-9) → 1-(2,4,6-trihydroxyphenyl)-dodecan-1-one (6790-21-2)

Guidance literature:

With boron trifluoride diethyl etherate; In tetrahydrofuran; at 20 ℃; for 48h;

DOI:10.1021/ja042727j

Reference yield: 58.0%

n-dodecanoyl chloride (112-16-3) + 3,5-dihydroxyphenol (108-73-6) → 1-(2,4,6-trihydroxyphenyl)-dodecan-1-one (6790-21-2)

Guidance literature:

With aluminium trichloride; In carbon disulfide; nitrobenzene;

Reference yield:

3,5-dihydroxyphenol (108-73-6) + undecyl cyanide (2437-25-4) → 1-(2,4,6-trihydroxyphenyl)-dodecan-1-one (6790-21-2)

Guidance literature:

With hydrogenchloride; zinc(II) chloride; Erhitzen des Reaktionsprodukts mit H₂O;

upstream raw materials:

3,5-dihydroxyphenol

undecyl cyanide

n-dodecanoyl chloride

lauric anhydride

Downstream raw materials:

2-dodecanyl-1,3,5-trihydroxybenzene

1-(2,4,6-tribenzyloxyphenyl)dodecan-1-one

(2R,3R,4R)-2-(4-benzyloxyphenyl)-7-benzyloxy-4-(2,4,6-tribenzyloxy-3-(dodecanoyl)phenyl)chroman

(2R,3R,4R)-2-(4-benzyloxyphenyl)-7-benzyloxy-4-(2,4,6-tribenzyloxy-3-(dodecanoyl)phenyl)chroman-3-ol

Refernces

HORSFIELDIN, A LIGNAN AND OTHER CONSTITUENTS FROM HORSFIELDIA IRYAGHEDHI

10.1016/0031-9422(82)83106-3

The study focuses on the phytochemical investigation of Horsfieldia iryaghedhi seeds, a plant indigenous to Sri Lanka. The researchers extracted and characterized several constituents from the hot methanol extract of the seeds, including a new lignan named horsfieldin, along with d-asarinin, (-)-dihydrocubebin, dodecanoylphloroglucinol, myristic acid, trimyristin, and sitosterol. The study provides detailed information on the structure elucidation and absolute configuration of the lignans, as well as discussing their chemotaxonomic significance. The findings contribute to the understanding of the chemical composition of H. iryaghedhi and its potential biological activities, as tetrahydrofuran lignans like horsfieldin have been shown to possess insecticidal and medicinal properties.

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