1-(4'-Trifluoromethyl-biphenyl-4-YL)-ethanone

Base Information

• Chemical Name: 1-(4'-Trifluoromethyl-biphenyl-4-YL)-ethanone
• CAS No.: 142557-76-4
• Molecular Formula: C15H11 F3 O
• Molecular Weight: 264.247
• Hs Code.: 2902900000
• DSSTox Substance ID: DTXSID90356326
• Nikkaji Number: J1.632.608I
• Wikidata: Q82135598
• Mol file: 142557-76-4.mol

Synonyms:142557-76-4;1-(4'-TRIFLUOROMETHYL-BIPHENYL-4-YL)-ETHANONE;1-(4'-(Trifluoromethyl)-[1,1'-biphenyl]-4-yl)ethanone;1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanone;1-(4'-(Trifluoromethyl)-[1,1'-biphenyl]-4-yl)ethan-1-one;1-[4'-(trifluoromethyl)[1,1'-biphenyl]-4-yl]ethanone;4-Acetyl-4'-(trifluoromethyl)biphenyl;1-(4/'-TRIFLUOROMETHYL-BIPHENYL-4-YL)-ETHANONE;1-[4'-(trifluoromethyl)-[1,1'-biphenyl]-4-yl]ethan-1-one;1-{4-[4-(trifluoromethyl)phenyl]phenyl}ethan-1-one;SCHEMBL4835788;C15H11F3O;DTXSID90356326;KUXRGLGGGFFFGQ-UHFFFAOYSA-N;MFCD01830185;AKOS004113944;AS-3101;4-acetyl-4'-trifluoromethyl-1,1'-biphenyl;BB 0222573;CS-0093187;1-(4'-Trifluoromethyl-biphenyl-4-yl)ethanone;1-(4'-(trifluoromethyl)biphenyl-4-yl)ethanone;N12251;AA-516/12432316;1-[4'-(Trifluoromethyl)[1,1'-biphenyl]-4-yl]ethan-1-one

Chemical Property of 1-(4'-Trifluoromethyl-biphenyl-4-YL)-ethanone

Chemical Property:

• Melting Point: 122-123 °C
• Boiling Point: 322.6±37.0 °C(Predicted)
• PSA: 17.07000
• Density: 1.202±0.06 g/cm3(Predicted)
• LogP: 4.57500
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 264.07619946
• Heavy Atom Count: 19
• Complexity: 308

Purity/Quality:

99% ^*data from raw suppliers

1-{4-[4-(Trifluoromethyl)phenyl]phenyl}ethan-1-one ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(4'-Trifluoromethyl-biphenyl-4-YL)-ethanone

There total 28 articles about 1-(4'-Trifluoromethyl-biphenyl-4-YL)-ethanone 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: 100.0%

4-trifluoromethylphenylboronic acid (128796-39-4) + para-bromoacetophenone (99-90-1) → 4-acetyl-4'-trifluoromethylbiphenyl (142557-76-4)

Guidance literature:

With tetrabutylammomium bromide; palladium diacetate; potassium carbonate; In water; at 60 ℃; for 2h; Inert atmosphere;

DOI:10.1021/jm2007744

Reference yield: 98.0%

4-trifluoromethylphenylboronic acid (128796-39-4) + para-chloroacetophenone (99-91-2) → 4-acetyl-4'-trifluoromethylbiphenyl (142557-76-4)

Guidance literature:

With potassium carbonate; In toluene; at 100 ℃; for 3h; Inert atmosphere;

DOI:10.1002/adsc.201500070

Reference yield: 98.0%

para-chloroacetophenone (99-91-2) + (meta-(trifluoromethyl)phenyl)boronic acid (1423-26-3) → 4-acetyl-4'-trifluoromethylbiphenyl (142557-76-4)

Guidance literature:

With [Pd(N₃)(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)(N,N'-dimethylbenzylamine(-H))]; caesium carbonate; In ethanol; at 80 ℃; for 1h; Catalytic behavior; Inert atmosphere; Heating;

DOI:10.1002/ejic.201200988

upstream raw materials:

4-acetophenyl triflate

tributyl(4-(trifluoromethyl)phenyl)stannane

p-trifluoromethylphenyl bromide

para-bromoacetophenone

Downstream raw materials:

C₂₅H₁₈F₆N₄O