1,3-Dimethoxy-5-pentadecylbenzene

Base Information

• Chemical Name: 1,3-Dimethoxy-5-pentadecylbenzene
• CAS No.: 23032-48-6
• Molecular Formula: C23H40O2
• Molecular Weight: 348.569
• DSSTox Substance ID: DTXSID50557493
• Nikkaji Number: J1.408.292A
• Wikidata: Q82439430
• Mol file: 23032-48-6.mol

Synonyms:1,3-DIMETHOXY-5-PENTADECYLBENZENE;23032-48-6;5-Pentadecylresorcinol Dimethyl Ether;starbld0011893;DTXSID50557493;AKOS030255147

Chemical Property of 1,3-Dimethoxy-5-pentadecylbenzene

Chemical Property:

• PSA: 18.46000
• LogP: 7.33750
• XLogP3: 9.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 16
• Exact Mass: 348.302830514
• Heavy Atom Count: 25
• Complexity: 267

Purity/Quality:

5-PentadecylresorcinolDimethylEther ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCC1=CC(=CC(=C1)OC)OC
• Uses: 5-Pentadecylresorcinol Dimethyl Ether is an intermediate in the synthesis of 5-Pentadecylresorcinol which is one of the major active components in wheat bran with inhibitory activity against colon cancer cell growth. 5-Pentadecylresorcinol also has antioxidant activity and protective effects on cell viability of PC-12 AC cells.

Technology Process of 1,3-Dimethoxy-5-pentadecylbenzene

There total 33 articles about 1,3-Dimethoxy-5-pentadecylbenzene 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: 100.0%

5-<(Z)-pentadec-8-enyl>resorcinol dimethyl ether (22910-87-8) → 1,3-dimethoxy-5-pentadecylbenzene (23032-48-6)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In tetrahydrofuran; for 18h;

DOI:10.1080/10286020.2011.554828

Reference yield: 99.0%

C23H36O2 → 1,3-dimethoxy-5-pentadecylbenzene (23032-48-6)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; at 20 ℃; under 3750.38 Torr;

DOI:10.1016/j.tet.2017.07.029

Reference yield: 80.0%

1,3-dimethoxy-5-(pentadec-1-enyl)benzene (855243-04-8) → 1,3-dimethoxy-5-pentadecylbenzene (23032-48-6)

Guidance literature:

With 10% Pd/C; hydrogen; In methanol; chloroform; at 20 ℃; for 24h;

DOI:10.1021/jf302872a

upstream raw materials:

5-n-pentadecylresorcinol

dimethyl sulfate

2-decyl-5-(3,5-dimethoxy-benzyl)-thiophene

pentadecyl bromide

Downstream raw materials:

C₂₄H₄₀O₃

C₂₄H₄₂O₂

3-Methoxy-5-pentadecylphenol

C₂₈H₄₄O₇

Refernces

• 1、 Sisa, Miroslav,Dvorakova, Marcela,Temml, Veronika,Jarosova, Veronika,Vanek, Tomas,Landa, Premysl. "Synthesis, inhibitory activity and in silico docking of dual COX/5-LOX inhibitors with quinone and resorcinol core". . . Retrieved 2020/07/31.
• 2、 -. "METHOD FOR PREPARING A HERBICIDAL COMPOUND". Paragraph 0069; 0070. . Retrieved 2015/02/18.