1,4-Bis(octyloxy)benzene

Base Information

• Chemical Name: 1,4-Bis(octyloxy)benzene
• CAS No.: 67399-94-4
• Molecular Formula: C22H38O2
• Molecular Weight: 334.543
• DSSTox Substance ID: DTXSID80373002
• Nikkaji Number: J1.009.276K
• Wikidata: Q82161079
• Mol file: 67399-94-4.mol

Synonyms:1,4-bis(octyloxy)benzene;1,4-dioctoxybenzene;1,4-dioctyloxybenzene;67399-94-4;2,5-dioctyloxybenzene;hydroquinone dioctyl ether;1,4-di-n-octyloxybenzene;Benzene, 1,4-bis(octyloxy)-;SCHEMBL2829024;DTXSID80373002;1,4-Di(octyloxy)benzene, 98%;AKOS004908192

Chemical Property of 1,4-Bis(octyloxy)benzene

Chemical Property:

• Melting Point: 56-59
• Refractive Index: n20/D 1.4840(lit.)
• Boiling Point: 658 °C at 760 mmHg
• Flash Point: 188.5 °C
• PSA: 18.46000
• Density: 1.007 g/cm³
• LogP: 7.16520
• XLogP3: 8.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 16
• Exact Mass: 334.287180451
• Heavy Atom Count: 24
• Complexity: 220

Purity/Quality:

99% ^*data from raw suppliers

1,4-Bis(octyloxy)benzene ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCOC1=CC=C(C=C1)OCCCCCCCC
• Uses: 1,4-Bis(octyloxy)benzene is a reagent used in the preparation of semiconducting polymers containing pyrimidines.

Technology Process of 1,4-Bis(octyloxy)benzene

There total 13 articles about 1,4-Bis(octyloxy)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: 99.0%

1-bromo-octane (111-83-1) + hydroquinone (123-31-9,8027-02-9) → 1,4-bis(octyloxy)benzene (67399-94-4)

Guidance literature:

With potassium hydroxide; tetrabutylammomium bromide; at 80 ℃; for 12h;

DOI:10.1080/00397919108016419

Reference yield: 95.0%

1-bromo-hexane (111-25-1) + hydroquinone (123-31-9,8027-02-9) → 1,4-bis(octyloxy)benzene (67399-94-4)

Guidance literature:

With potassium carbonate; for 36h; Reflux; Inert atmosphere;

DOI:10.1039/c4ta04231j

Reference yield: 76.4%

n-chlorooctane (111-85-3) + hydroquinone (123-31-9,8027-02-9) → 1,4-bis(octyloxy)benzene (67399-94-4)

Guidance literature:

hydroquinone; With potassium carbonate; In N,N-dimethyl-formamide; for 0.333333h; Inert atmosphere;

n-chlorooctane; In N,N-dimethyl-formamide; at 60 ℃; for 23h; Inert atmosphere;

DOI:10.1039/c9cc08541f

upstream raw materials:

1-octyl p-toluenesulfonate

sodium 4-hydroxybenzen-1-olate

1-Iodooctane

hydroquinone

Downstream raw materials:

2,5-bis-octyloxy-benzenesulfonic acid

2-Nitro-1,4-bis-octyloxy-benzene

1,4-diiodo-2,5-dioctyloxybenzene

1,4-bis(bromomethyl)-2,5-bis(octyloxy)benzene