1,3-Bis(3-phenoxyphenoxy)benzene

Base Information

• Chemical Name: 1,3-Bis(3-phenoxyphenoxy)benzene
• CAS No.: 2455-71-2
• Deprecated CAS: 61332-25-0
• Molecular Formula: C30H22 O4
• Molecular Weight: 446.502
• Hs Code.: 2909309090
• European Community (EC) Number: 219-530-0
• NSC Number: 57094
• UNII: 6IXO403NRU
• DSSTox Substance ID: DTXSID5062429
• Nikkaji Number: J216.093E
• Wikidata: Q81990030
• Mol file: 2455-71-2.mol

Synonyms:1,3-bis(3-phenoxyphenoxy)benzene

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

Chemical Property:

• Vapor Pressure: 3.43E-12mmHg at 25°C
• Melting Point: 42.8 °C
• Boiling Point: 564.7°Cat760mmHg
• Flash Point: 132.3°C
• PSA: 36.92000
• Density: 1.2g/cm³
• LogP: 8.85580
• XLogP3: 8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 446.15180918
• Heavy Atom Count: 34
• Complexity: 522

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Other Aromatic Compounds
• Canonical SMILES: C1=CC=C(C=C1)OC2=CC(=CC=C2)OC3=CC(=CC=C3)OC4=CC=CC(=C4)OC5=CC=CC=C5

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

There total 4 articles about 1,3-Bis(3-phenoxyphenoxy)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:

Acid Orange 7 → ethylbenzene (100-41-4,27536-89-6) + (1S)-camphor (464-48-2,68546-28-1) + 2,6-di-tert-butyl-4-methyl-phenol (128-37-0) + 2-benzylpropionaldehyde (5445-77-2) + 1,3-bis(3-phenoxyphenoxy)benzene (2455-71-2) + (+)-isothujone (471-15-8) + acetic acid (64-19-7,77671-22-8) + acrylic acid (79-10-7) + limonene. (138-86-3,555-08-8,8022-90-0,9003-73-0,95327-98-3)

Guidance literature:

With zinc(II) oxide; Reagent/catalyst; Concentration; pH-value; Sonication; Darkness;

DOI:10.1016/j.ultsonch.2014.08.023

Reference yield:

1-methoxy-3-phenoxybenzene (1655-68-1) → 1,3-bis(3-phenoxyphenoxy)benzene (2455-71-2)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. HBr, AcOH, Ac₂O

2: (i) aq. KOH, (ii) /BRN= 1904538/, Cu₂O, (heating)

With hydrogen bromide; acetic anhydride; acetic acid;

DOI:10.1021/jo01079a029

Reference yield:

meta-phenoxyphenol (713-68-8) + 1,3-dibromobenzene (108-36-1) → 1,3-bis(3-phenoxyphenoxy)benzene (2455-71-2)

Guidance literature:

Multistep reaction; (i) aq. KOH, (ii) /BRN= 1904538/, Cu₂O, (heating);

DOI:10.1021/jo01079a029

upstream raw materials:

meta-phenoxyphenol

1,3-dibromobenzene

1-methoxy-3-phenoxybenzene

Downstream raw materials:

recorcinol

benzene

phenol

meta-phenoxyphenol

Refernces

• 1、 -. "FLAME RETARDANT HALOGENATED PHENYL ETHERS". Page/Page column 13. . Retrieved 2011/08/08.