1,3-Bis[3-(3-phenoxyphenoxy)phenoxy]benzene

Base Information

• Chemical Name: 1,3-Bis[3-(3-phenoxyphenoxy)phenoxy]benzene
• CAS No.: 23374-15-4
• Deprecated CAS: 88708-83-2
• Molecular Formula: C42H30 O6
• Molecular Weight: 630.697
• Hs Code.: 2909309090
• European Community (EC) Number: 245-618-3
• DSSTox Substance ID: DTXSID4066886
• Nikkaji Number: J228.944J
• Wikidata: Q81993463
• Mol file: 23374-15-4.mol

Synonyms:1,3-bis[3-(3-phenoxyphenoxy)phenoxy]benzene;23374-15-4;EINECS 245-618-3;1,3-Bis(3-(3-phenoxyphenoxy)phenoxy)benzene;Benzene, 1,3-bis[3-(3-phenoxyphenoxy)phenoxy]-;Benzene, 1,3-bis(3-(3-phenoxyphenoxy)phenoxy)-;SCHEMBL4025817;DTXSID4066886;C42H30O6;C42-H30-O6;1-(3-phenoxyphenoxy)-3-{3-[3-(3-phenoxyphenoxy)phenoxy]phenoxy}benzene

Chemical Property of 1,3-Bis[3-(3-phenoxyphenoxy)phenoxy]benzene

Chemical Property:

• Vapor Pressure: 1.42E-19mmHg at 25°C
• Refractive Index: 1.64
• Boiling Point: 717°Cat760mmHg
• Flash Point: 267.3°C
• PSA: 55.38000
• Density: 1.229g/cm³
• LogP: 12.44040
• XLogP3: 11.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 12
• Exact Mass: 630.20423867
• Heavy Atom Count: 48
• Complexity: 833

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OC2=CC(=CC=C2)OC3=CC(=CC=C3)OC4=CC(=CC=C4)OC5=CC=CC(=C5)OC6=CC=CC(=C6)OC7=CC=CC=C7

Technology Process of 1,3-Bis[3-(3-phenoxyphenoxy)phenoxy]benzene

There total 5 articles about 1,3-Bis[3-(3-phenoxyphenoxy)phenoxy]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:

meta-phenoxyphenol (713-68-8) → 1,3-bis[3-(3-phenoxyphenoxy)phenoxy]benzene (23374-15-4)

Guidance literature:

Multi-step reaction with 3 steps

1: (i) aq. KOH, (ii) /BRN= 1904538/, Cu, (heating)

2: aq. KOH / bis-(2-hydroxy-ethyl) ether / 230 - 240 °C

3: (i) aq. KOH, (ii) /BRN= 1904538/, Cu, (heating)

With potassium hydroxide; In diethylene glycol;

DOI:10.1021/jo01079a029

Reference yield:

4′,6′-bis([1,1′-biphenyl]-4-yloxy)-5′-bromo-1,1′:3′,1″-terphenyl (23840-43-9) → 1,3-bis[3-(3-phenoxyphenoxy)phenoxy]benzene (23374-15-4)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. KOH / bis-(2-hydroxy-ethyl) ether / 230 - 240 °C

2: (i) aq. KOH, (ii) /BRN= 1904538/, Cu, (heating)

With potassium hydroxide; In diethylene glycol;

DOI:10.1021/jo01079a029

Reference yield:

1-methoxy-3-phenoxybenzene (1655-68-1) → 1,3-bis[3-(3-phenoxyphenoxy)phenoxy]benzene (23374-15-4)

Guidance literature:

Multi-step reaction with 4 steps

1: aq. HBr, AcOH, Ac₂O

2: (i) aq. KOH, (ii) /BRN= 1904538/, Cu, (heating)

3: aq. KOH / bis-(2-hydroxy-ethyl) ether / 230 - 240 °C

4: (i) aq. KOH, (ii) /BRN= 1904538/, Cu, (heating)

With potassium hydroxide; hydrogen bromide; acetic anhydride; acetic acid; In diethylene glycol;

DOI:10.1021/jo01079a029

upstream raw materials:

1,3-dibromobenzene

m-(m-phenoxyphenoxy)phenol

meta-phenoxyphenol

4′,6′-bis([1,1′-biphenyl]-4-yloxy)-5′-bromo-1,1′:3′,1″-terphenyl