1-Nitro-4-(4-(trifluoromethyl)phenoxy)benzene

Base Information

• Chemical Name: 1-Nitro-4-(4-(trifluoromethyl)phenoxy)benzene
• CAS No.: 34859-78-4
• Molecular Formula: C13H8F3NO3
• Molecular Weight: 283.207
• DSSTox Substance ID: DTXSID90347698
• Wikidata: Q82121881
• Mol file: 34859-78-4.mol

Synonyms:1-Nitro-4-(4-(trifluoromethyl)phenoxy)benzene;34859-78-4;4'-Nitro-4-trifluoromethyldiphenylether;SCHEMBL4373201;DTXSID90347698;AKOS016002649;1-(4-Nitrophenoxy)-4-(trifluoromethyl)benzene #

Chemical Property of 1-Nitro-4-(4-(trifluoromethyl)phenoxy)benzene

Chemical Property:

• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 283.04562760
• Heavy Atom Count: 20
• Complexity: 327

Purity/Quality:

98.5% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(F)(F)F)OC2=CC=C(C=C2)[N+](=O)[O-]

Technology Process of 1-Nitro-4-(4-(trifluoromethyl)phenoxy)benzene

There total 5 articles about 1-Nitro-4-(4-(trifluoromethyl)phenoxy)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: 92.0%

4-hydroxybenzotrifluoride (402-45-9) + 4-Fluoronitrobenzene (350-46-9,178603-76-4) → 1-nitro-4-(4-(trifluoromethyl)phenoxy)benzene (34859-78-4)

Guidance literature:

With potassium carbonate; In dimethyl sulfoxide; at 70 ℃;

DOI:10.1039/c4md00498a

Reference yield: 90.0%

4-hydroxybenzotrifluoride (402-45-9) + 4-chlorobenzonitrile (100-00-5) → 1-nitro-4-(4-(trifluoromethyl)phenoxy)benzene (34859-78-4)

Guidance literature:

With potassium carbonate; In N,N-dimethyl acetamide; at 125 ℃; for 4h; Inert atmosphere;

DOI:10.1039/c6ra21562a

Reference yield: 73.0%

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + p-trifluoromethylphenyl bromide (402-43-7) → 1-nitro-4-(4-(trifluoromethyl)phenoxy)benzene (34859-78-4)

Guidance literature:

With copper(II) oxide; potassium hydroxide; In N,N-dimethyl acetamide; at 27 ℃; for 28h; Inert atmosphere; Sealed tube;

DOI:10.1016/j.tetlet.2013.01.063

upstream raw materials:

tetrachloromethane

4-nitrophenyl phenyl ether

4-hydroxybenzotrifluoride

4-Fluoronitrobenzene

Downstream raw materials:

4-(4-trifluoromethylphenoxy)-aniline