Phenol, 2,4-dibromo-5-(2,4-dibromophenoxy)-

Base Information

• Chemical Name: Phenol, 2,4-dibromo-5-(2,4-dibromophenoxy)-
• CAS No.: 602326-30-7
• Molecular Formula: C12H6Br4O2
• Molecular Weight: 501.79100
• DSSTox Substance ID: DTXSID60471252
• Nikkaji Number: J2.221.282F

Synonyms:602326-30-7;Phenol, 2,4-dibromo-5-(2,4-dibromophenoxy)-;2,4-dibromo-5-(2,4-dibromophenoxy)phenol;DTXSID60471252;NS00077077;5-hydroxy-2,2',4,4'-tetrabromodiphenyl ether

Chemical Property of Phenol, 2,4-dibromo-5-(2,4-dibromophenoxy)-

Chemical Property:

• Melting Point: 80-82 °C
• Boiling Point: 415.5±45.0 °C(Predicted)
• PSA: 29.46000
• Density: 2.248±0.06 g/cm3(Predicted)
• LogP: 6.23450
• XLogP3: 5.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 501.70603
• Heavy Atom Count: 18
• Complexity: 279

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Br)Br)OC2=C(C=C(C(=C2)O)Br)Br

Technology Process of Phenol, 2,4-dibromo-5-(2,4-dibromophenoxy)-

There total 1 articles about Phenol, 2,4-dibromo-5-(2,4-dibromophenoxy)- 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%

5-methoxy-2,2',4,4'-tetrabromodiphenyl ether → 5-hydroxy-2,2′,4,4′-tetrabromodiphenyl ether (602326-30-7)

Guidance literature:

With boron tribromide; In dichloromethane; at 50 ℃; for 5h;

DOI:10.1002/ejoc.200300081

Reference yield:

5-hydroxy-2,2′,4,4′-tetrabromodiphenyl ether (602326-30-7) → 4-[2,4-dibromo-5-(2,4-dibromo-phenoxy)-phenoxy]-butyric acid

Guidance literature:

Multi-step reaction with 2 steps

1.1: NaH / tetrahydrofuran / 0.5 h

1.2: tetrahydrofuran / Heating

2.1: aq. NaOH / ethanol / 36 h / 20 °C

With sodium hydroxide; sodium hydride; In tetrahydrofuran; ethanol;

DOI:10.1021/jf047863m

Reference yield:

Ethyl 4-bromobutyrate (2969-81-5) + 5-hydroxy-2,2′,4,4′-tetrabromodiphenyl ether (602326-30-7) → ethyl 4-[2,4-dibromo-5-(2,4-dibromophenoxy)phenoxy]butyrate

Guidance literature:

5-hydroxy-2,2′,4,4′-tetrabromodiphenyl ether; With sodium hydride; In tetrahydrofuran; for 0.5h;

Ethyl 4-bromobutyrate; In tetrahydrofuran; Heating;

DOI:10.1021/jf047863m

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