1,3-Bis(hexyloxy)benzene

Base Information

• Chemical Name: 1,3-Bis(hexyloxy)benzene
• CAS No.: 67685-82-9
• Molecular Formula: C18H30O2
• Molecular Weight: 278.435
• DSSTox Substance ID: DTXSID70510469
• Nikkaji Number: J3.092.089I
• Wikidata: Q82368779
• Mol file: 67685-82-9.mol

Synonyms:1,3-BIS(HEXYLOXY)BENZENE;67685-82-9;1,3-dihexyloxybenzene;SCHEMBL4208924;DTXSID70510469

Chemical Property of 1,3-Bis(hexyloxy)benzene

Chemical Property:

• XLogP3: 6.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 12
• Exact Mass: 278.224580195
• Heavy Atom Count: 20
• Complexity: 186

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCOC1=CC(=CC=C1)OCCCCCC

Technology Process of 1,3-Bis(hexyloxy)benzene

There total 6 articles about 1,3-Bis(hexyloxy)benzene 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: 91.0%

1-bromo-hexane (111-25-1) + recorcinol (108-46-3) → 1,3-bis(hexyloxy)benzene (67685-82-9)

Guidance literature:

With 18-crown-6 ether; tetra-(n-butyl)ammonium iodide; potassium carbonate; In acetonitrile; at 20 ℃; Inert atmosphere; Reflux;

DOI:10.1002/chem.201002491

Reference yield: 84.0%

1-Iodohexane (638-45-9) + recorcinol (108-46-3) → 1,3-bis(hexyloxy)benzene (67685-82-9)

Guidance literature:

With 18-crown-6 ether; tetra-(n-butyl)ammonium iodide; potassium carbonate; In acetonitrile; Reflux;

DOI:10.1002/chem.201002491

Reference yield: 38.0%

1-bromo-hexane (111-25-1) + recorcinol (108-46-3) → 1,3-bis(hexyloxy)benzene (67685-82-9) + n-hexyl resorcinol (67089-07-0)

Guidance literature:

With Tris(3,6-dioxaheptyl)amine; potassium carbonate; In acetonitrile; for 15h; Solvent; Reagent/catalyst; Time; Temperature; Reflux;

DOI:10.1021/op034064g

upstream raw materials:

4-methylbenzenesulfonic acid n-hexylester

resorcinol; sodium-compound

1-bromo-hexane

recorcinol

Downstream raw materials:

2,4-bis(hexyloxy)-1,5-bis(TMS-ethynyl)benzene

2,4-bis(hexyloxy)nitrobenzene

1-bromo-2,4-bis(hexyloxy)-5-nitrobenzene

5-bromo-2,4-bis(hexyloxy)aniline