1-Bromo-2-phenoxybenzene

Base Information

• Chemical Name: 1-Bromo-2-phenoxybenzene
• CAS No.: 7025-06-1
• Molecular Formula: C12H9BrO
• Molecular Weight: 249.107
• Hs Code.: 2909309090
• European Community (EC) Number: 812-295-0
• UNII: L4V1943Q2T
• DSSTox Substance ID: DTXSID7073486
• Nikkaji Number: J151.726K
• Wikidata: Q27282711
• Mol file: 7025-06-1.mol

Synonyms:1-bromo-2-phenoxybenzene;7025-06-1;2-bromodiphenyl ether;Benzene, 1-bromo-2-phenoxy-;Benzene, bromophenoxy-;36563-47-0;1-bromo-2-phenoxy-benzene;1-bromo-2-(phenoxy)benzene;Ether, bromophenyl phenyl;PBDE 1;UNII-54J1HY6KA8;L4V1943Q2T;MFCD00626462;bromo diphenyl ether;2-phenoxybromobenzene;Bromo-2-phenoxybenzene;BDE-1;SCHEMBL130304;UNII-L4V1943Q2T;54J1HY6KA8;PBDE 001;BDE No 1, analytical standard;DTXSID7073486;RRWFUWRLNIZICP-UHFFFAOYSA-;RRWFUWRLNIZICP-UHFFFAOYSA-N;AMY33036;STK098855;AKOS005396455;CS-W005331;DS-15384;SY119824;FT-0742948;EN300-1869583;A905913;Q27282711;InChI=1/C12H9BrO/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9H

Chemical Property of 1-Bromo-2-phenoxybenzene

Chemical Property:

• Melting Point: 43.5-44.5 °C(Solv: methanol (67-56-1))
• Boiling Point: 97-100 °C(Press: 0.1 Torr)
• PSA: 9.23000
• Density: 1.413±0.06 g/cm3(Predicted)
• LogP: 4.24140
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 247.98368
• Heavy Atom Count: 14
• Complexity: 166

Purity/Quality:

99%+, ^*data from raw suppliers

1-Bromo-2-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=C2Br

Technology Process of 1-Bromo-2-phenoxybenzene

There total 13 articles about 1-Bromo-2-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: 90.0%

2-bromo-1-(2-iodophenoxy)benzene (958244-59-2) → 1-bromo-2-phenoxybenzene (7025-06-1)

Guidance literature:

2-bromo-1-(2-iodophenoxy)benzene; With n-butyllithium; In tetrahydrofuran; hexane; at -80 - -10 ℃; for 3h;

With methanol; In tetrahydrofuran; hexane; at -80 - 20 ℃; for 14h;

DOI:10.1002/ejic.201301102

Reference yield: 62.0%

bromobenzene (108-86-1,52753-63-6) + 2-hydroxybromobenzene (95-56-7) → 1-bromo-2-phenoxybenzene (7025-06-1)

Guidance literature:

With potassium tert-butylate; In dimethyl sulfoxide; at 40 - 45 ℃;

DOI:10.1016/j.tet.2013.04.113

Reference yield: 60.0%

2-hydroxybromobenzene (95-56-7) + triphenyltin chloride (639-58-7) → 1-bromo-2-phenoxybenzene (7025-06-1)

Guidance literature:

With copper diacetate; triethylamine; at 20 ℃; for 30h;

DOI:10.1016/j.jorganchem.2013.04.053

upstream raw materials:

2-phenoxyaniline

2-hydroxybromobenzene

diphenyliodonium bromide

phenylboronic acid

Downstream raw materials:

Bis-<2-phenoxy-phenyl>-aether

o-phenoxybenzonitrile

4-phenoxyphenylboronic acid

2-phenoxyphenyldiphenylphosphine

Refernces

• 1、 Mackey, Katrina,Jones, David J.,Pardo, Leticia M.,McGlacken, Gerard P.. "Quinoline Ligands Improve the Classic Direct C?H Functionalisation/Intramolecular Cyclisation of Diaryl Ethers to Dibenzofurans". supporting information. p. 495 - 498. Retrieved 2021/01/12.
• 2、 -. "Anthracene compound, preparing method of anthracene compound and organic light-emitting device". Paragraph 0119-0121. . Retrieved 2017/05/02.