1-Bromo-4-(phenoxymethyl)benzene

Base Information

• Chemical Name: 1-Bromo-4-(phenoxymethyl)benzene
• CAS No.: 20600-22-0
• Molecular Formula: C13H11BrO
• Molecular Weight: 263.134
• Hs Code.: 2909309090
• DSSTox Substance ID: DTXSID40352414
• Nikkaji Number: J293.120F
• Wikidata: Q82129547
• Mol file: 20600-22-0.mol

Synonyms:1-bromo-4-(phenoxymethyl)benzene;20600-22-0;4-Bromobenzylphenyl ether;4-Bromobenzyl phenyl ether;(4-Bromobenzyl)phenyl ether;SCHEMBL419232;1-bromo4-phenoxymethyl-benzene;1-Bromo-4-phenoxymethyl-benzene;BDBM86791;DTXSID40352414;MFCD00017847;AKOS008913283;MS-22184;CS-0328351;FT-0708207

Chemical Property of 1-Bromo-4-(phenoxymethyl)benzene

Chemical Property:

• PSA: 9.23000
• LogP: 4.02810
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 261.99933
• Heavy Atom Count: 15
• Complexity: 169

Purity/Quality:

98%min ^*data from raw suppliers

1-Bromo-4-(phenoxymethyl)benzene 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OCC2=CC=C(C=C2)Br

Technology Process of 1-Bromo-4-(phenoxymethyl)benzene

There total 12 articles about 1-Bromo-4-(phenoxymethyl)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: 99.0%

p-bromobenzyl chloride (589-17-3) + phenol (108-95-2,27073-41-2) → 1-bromo-4-(phenoxymethyl)benzene (20600-22-0)

Guidance literature:

With potassium carbonate; In ethanol; at 78 ℃; for 5h;

Reference yield: 97.0%

4-bromobenzenemethanol (873-75-6) + triphenylsulfonium trifluoromethanesulfonate (66003-78-9,130595-32-3,220122-79-2) → 1-bromo-4-(phenoxymethyl)benzene (20600-22-0)

Guidance literature:

With cesium hydroxide; In 1,4-dioxane; at 50 ℃; for 24h; Inert atmosphere; Glovebox;

DOI:10.1002/asia.201900968

Reference yield: 95.0%

1-bromomethyl-4-bromobenzene (589-15-1) + phenol (108-95-2,27073-41-2) → 1-bromo-4-(phenoxymethyl)benzene (20600-22-0)

Guidance literature:

With potassium carbonate; In acetone; for 48h; Heating;

upstream raw materials:

sodium phenoxide

p-bromobenzyl chloride

phenol

4-bromo-benzaldehyde

Downstream raw materials:

4-bromo-benzaldehyde

phenol

diphenyl sulfide

Phenyl-(4-phenylmercapto-benzyl)-sulfid