1,3-Dibromo-5-phenoxybenzene

Base Information

• Chemical Name: 1,3-Dibromo-5-phenoxybenzene
• CAS No.: 46438-88-4
• Molecular Formula: C12H8Br2O
• Molecular Weight: 328.003
• Hs Code.: 2909309090
• UNII: CND0EQ2VCP
• ChEMBL ID: CHEMBL453960
• DSSTox Substance ID: DTXSID60591606
• Nikkaji Number: J151.865H
• Wikidata: Q27275555
• Mol file: 46438-88-4.mol

Synonyms:1,3-dibromo-5-phenoxybenzene;46438-88-4;3,5-Dibromodiphenyl ether;Benzene, 1,3-dibromo-5-phenoxy-;PBDE 14;CND0EQ2VCP;UNII-CND0EQ2VCP;CHEMBL453960;SCHEMBL23392270;DTXSID60591606;WBA43888;MFCD17018983;AKOS016008396;BS-28774;DB-336972;CS-0186295;D97578;Q27275555

Chemical Property of 1,3-Dibromo-5-phenoxybenzene

Chemical Property:

• PSA: 9.23000
• LogP: 5.00390
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 327.89214
• Heavy Atom Count: 15
• Complexity: 182

Purity/Quality:

99% ^*data from raw suppliers

1,3-Dibromo-5-phenoxybenzene ^*data from reagent 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)Br)Br

Technology Process of 1,3-Dibromo-5-phenoxybenzene

There total 2 articles about 1,3-Dibromo-5-phenoxybenzene 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: 69.0%

3,5-dibromophenylboronic acid (117695-55-3) + phenol (108-95-2,27073-41-2) → 1,3-dibromo-5-phenoxybenzene (46438-88-4)

Guidance literature:

With pyridine; copper diacetate; In dichloromethane; for 18h; Molecular sieve;

DOI:10.1021/jm800435s

Reference yield: 66.0%

1,3,5-trisbromobenzene (626-39-1) + phenol (108-95-2,27073-41-2) → 1,3-dibromo-5-phenoxybenzene (46438-88-4)

Guidance literature:

With caesium carbonate; copper(l) chloride; sodium hydroxide; In pyridine; at 80 ℃; for 4h; Inert atmosphere;

Reference yield: 80.0%

1,3-dibromo-5-phenoxybenzene (46438-88-4) + diphenylamine (122-39-4) → 3-bromo-5-phenoxy-N,N-diphenylaniline

Guidance literature:

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; tri-tert-butyl phosphine; sodium t-butanolate; In toluene; at 110 ℃; for 12h; Inert atmosphere;

upstream raw materials:

3,5-dibromophenylboronic acid

phenol

1,3,5-trisbromobenzene

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