4'-Methyl-4-trifluoromethyl-biphenyl

Base Information

• Chemical Name: 4'-Methyl-4-trifluoromethyl-biphenyl
• CAS No.: 97067-18-0
• Molecular Formula: C14H11 F3
• Molecular Weight: 236.237
• Hs Code.: 2903999090
• DSSTox Substance ID: DTXSID50432216
• Nikkaji Number: J784.191D
• Wikidata: Q82246275
• Mol file: 97067-18-0.mol

Synonyms:4'-Methyl-4-trifluoromethyl-biphenyl;97067-18-0;4-methyl-4'-(trifluoromethyl)-1,1'-biphenyl;4-methyl-4'-(trifluoromethyl)biphenyl;1-methyl-4-[4-(trifluoromethyl)phenyl]benzene;4-Methyl-4'-trifluoromethylbiphenyl;4-methyl-4'-trifluoromethyl-biphenyl;SCHEMBL1044865;DTXSID50432216;DBGGJDWYVIWOIA-UHFFFAOYSA-N;MFCD04972929;AKOS004114901;BB 0223401

Chemical Property of 4'-Methyl-4-trifluoromethyl-biphenyl

Chemical Property:

• Melting Point: 121.2-121.3 °C
• Boiling Point: 273.7±35.0 °C(Predicted)
• PSA: 0.00000
• Density: 1.155±0.06 g/cm3(Predicted)
• LogP: 4.68080
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 236.08128484
• Heavy Atom Count: 17
• Complexity: 230

Purity/Quality:

99% ^*data from raw suppliers

4'-METHYL-4-TRIFLUOROMETHYL-BIPHENYL 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C2=CC=C(C=C2)C(F)(F)F

Technology Process of 4'-Methyl-4-trifluoromethyl-biphenyl

There total 11 articles about 4'-Methyl-4-trifluoromethyl-biphenyl 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-Iodobenzotrifluoride (455-13-0) + tri(p-tolyl)bismuth (5142-75-6) → (4,4'-dimethyl-1,1'-biphenyl) (613-33-2) + 4'-methyl-4-trifluoromethyl-biphenyl (97067-18-0)

Guidance literature:

With caesium carbonate; triphenylphosphine; palladium dichloride; In N,N-dimethyl acetamide; at 90 ℃; for 1h;

DOI:10.1016/j.tet.2008.04.011

Reference yield: 62.0%

p-trifluoromethylphenyl bromide (402-43-7) + tri(p-tolyl)bismuth (5142-75-6) → (4,4'-dimethyl-1,1'-biphenyl) (613-33-2) + 4'-methyl-4-trifluoromethyl-biphenyl (97067-18-0)

Guidance literature:

With caesium carbonate; triphenylphosphine; palladium dichloride; In N,N-dimethyl acetamide; at 90 ℃; for 2h;

DOI:10.1016/j.tet.2008.04.011

Reference yield: 57.0%

4-Iodobenzotrifluoride (455-13-0) + 4-methylphenylboronic acid (5720-05-8) + N-benzyl-N-(1-octynyl)-p-toluenesulfonamide (496922-59-9) → N-benzyl-N-[(E)-2-p-tolyl-1-(4-trifluoromethylphenyl)-oct-1-enyl]-p-toluenesulfonamide + 4'-methyl-4-trifluoromethyl-biphenyl (97067-18-0)

Guidance literature:

With tris(dibenzylideneacetone)dipalladium⁽⁰⁾ chloroform complex; potassium carbonate; In water; acetonitrile; at 0 - 70 ℃; for 18h; under 760.051 Torr; regioselective reaction; Inert atmosphere;

DOI:10.1021/acs.orglett.0c01426

upstream raw materials:

4-Iodobenzotrifluoride

tri(p-tolyl)bismuth

p-trifluoromethylphenyl bromide

3-cyanobromobenzene

Downstream raw materials:

(4,4'-dimethyl-1,1'-biphenyl)

4-(bromomethyl)-4'-(trifluoromethyl)biphenyl

4,4,5,5-tetramethyl-2-(4'-(trifluoromethyl)-[1,1^,-biphenyl]-4-yl)-1,3,2-dioxaborolane