Benzene, 1-(4-bromophenoxy)-3-(trifluoromethyl)-

Base Information

• Chemical Name: Benzene, 1-(4-bromophenoxy)-3-(trifluoromethyl)-
• CAS No.: 109272-29-9
• Molecular Formula: C13H8BrF3O
• Molecular Weight: 317.105
• DSSTox Substance ID: DTXSID70546223
• Wikidata: Q82423989
• Mol file: 109272-29-9.mol

Synonyms:109272-29-9;Benzene, 1-(4-bromophenoxy)-3-(trifluoromethyl)-;1-(4-Bromophenoxy)-3-(trifluoromethyl)benzene;1-bromo-4-[3-(trifluoromethyl)phenoxy]benzene;SCHEMBL3553556;DTXSID70546223;4-(3-trifluoromethylphenoxy) bromobenzene;4-(3-trifluoromethylphenoxy)bromo-benzene;F84333

Chemical Property of Benzene, 1-(4-bromophenoxy)-3-(trifluoromethyl)-

Chemical Property:

• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 315.97106
• Heavy Atom Count: 18
• Complexity: 262

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of Benzene, 1-(4-bromophenoxy)-3-(trifluoromethyl)-

There total 4 articles about Benzene, 1-(4-bromophenoxy)-3-(trifluoromethyl)- 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%

4-bromo-phenol (106-41-2) + m-trifluoromethylphenyl iodide (401-81-0) → meta-(4-bromophenoxy)-benzotrifluoride (109272-29-9)

Guidance literature:

With tetramethyl-heptanedione; caesium carbonate; copper(l) chloride; In 1-methyl-pyrrolidin-2-one; at 100 ℃;

DOI:10.1016/j.bmcl.2011.07.044

Reference yield:

1.4-dibromobenzene (106-37-6) + 3-Trifluoromethylphenol (98-17-9) → meta-(4-bromophenoxy)-benzotrifluoride (109272-29-9)

Guidance literature:

With hydrogenchloride; potassium hydroxide; copper(I) chloride; In toluene;

Reference yield:

1-Phenoxy-3-(tris-ethylsulfanyl-methyl)-benzene (109272-26-6) → meta-(4-bromophenoxy)-benzotrifluoride (109272-29-9)

Guidance literature:

With pyridine; 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione; hydrogen fluoride; Yield given. Multistep reaction; 1.) CH₂Cl₂, -20 deg C to -30 deg C, 3h; 2.) -30 deg C to RT, 1h;

DOI:10.1016/S0040-4039(00)85082-0

upstream raw materials:

1-Phenoxy-3-(tris-ethylsulfanyl-methyl)-benzene

4-bromo-phenol

m-trifluoromethylphenyl iodide

3-phenoxy-benzoyl chloride

Downstream raw materials:

phenyl m-α,α,α-trifluorotolyl ether

(4-{[3-(trifluoromethyl)phenyl]oxy}phenyl)boronic acid

6-methyl-2-(O-tert-butyldimethylsilyl)hydroxymethyl-3-(4-[3-(trifluoromethyl)phenyl]oxy)-pyran-4(1H)-one

6-(hydroxymethyl)-2-methyl-3-(4-{[3(trifluoromethy)phenyl]oxy}phenyl)-4H-pyran-4-one