[1,1'-Biphenyl]-4-carboxylic acid, 4'-(trifluoromethyl)-, ethyl ester

Base Information

• Chemical Name: [1,1'-Biphenyl]-4-carboxylic acid, 4'-(trifluoromethyl)-, ethyl ester
• CAS No.: 647842-34-0
• Molecular Formula: C16H13F3O2
• Molecular Weight: 294.27
• Mol file: 647842-34-0.mol

Synonyms:Ethyl 4-(4-trifluoromethylphenyl)benzoate;ethyl 4'-(trifluoromethyl)biphenyl-4-carboxylate;4'-(Trifluoromethyl)-[1,1'-biphenyl]-4-carboxylic acid ethyl ester;[1,1'-Biphenyl]-4-carboxylic acid, 4'-(trifluoromethyl)-, ethyl ester

Chemical Property of [1,1'-Biphenyl]-4-carboxylic acid, 4'-(trifluoromethyl)-, ethyl ester

Chemical Property:

• Melting Point: 60℃
• PSA: 26.30000
• LogP: 4.54910

Purity/Quality:

99%,98%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of [1,1'-Biphenyl]-4-carboxylic acid, 4'-(trifluoromethyl)-, ethyl ester

There total 28 articles about [1,1'-Biphenyl]-4-carboxylic acid, 4'-(trifluoromethyl)-, ethyl ester 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%

ethyl 4-chlorobenzoate (7335-27-5) + (4-(trifluoromethyl)phenyl)zinc(II) chloride (125102-17-2) → ethyl 4'-(trifluoromethyl)-[1,1'-biphenyl]-4-carboxylate (647842-34-0)

Guidance literature:

With C₂₆H₂₄ClN₂NiP*0.1C₇H₈; In tetrahydrofuran; 1-methyl-pyrrolidin-2-one; at 80 ℃; for 24h; Schlenk technique; Inert atmosphere;

DOI:10.1039/c4ob01041h

Reference yield: 97.0%

p-trifluoromethylphenyl bromide (402-43-7) + 4-iodobenzoic acid ethyl ester (51934-41-9) → ethyl 4'-(trifluoromethyl)-[1,1'-biphenyl]-4-carboxylate (647842-34-0)

Guidance literature:

p-trifluoromethylphenyl bromide; With diisobutylaluminium hydride; magnesium; lithium chloride; In tetrahydrofuran; at 0 ℃; for 0.5h;

4-iodobenzoic acid ethyl ester; With zinc(II) chloride; In tetrahydrofuran; for 0.25h;

With trifuran-2-yl-phosphane; bis(dibenzylideneacetone)-palladium⁽⁰⁾; In tetrahydrofuran; at 25 ℃; for 1h;

DOI:10.1002/anie.200801968

Reference yield: 97.0%

p-EtO2C-C6H4NMe3(+)*I(-) (113511-05-0) + (4-(trifluoromethyl)phenyl)zinc(II) chloride (125102-17-2) → ethyl 4'-(trifluoromethyl)-[1,1'-biphenyl]-4-carboxylate (647842-34-0)

Guidance literature:

With C₃₈H₃₄Br₂N₄Ni₂P₂; potassium iodide; In tetrahydrofuran; 1-methyl-pyrrolidin-2-one; at 65 ℃; for 12h; Reagent/catalyst; Inert atmosphere; Schlenk technique;

DOI:10.1021/om500452c

upstream raw materials:

Ethyl 4-bromobenzoate

hydroxy(dimethyl)(4-trifluoromethylphenyl)silane

p-trifluoromethylphenyl bromide

4-iodobenzoic acid ethyl ester

Downstream raw materials:

(4′-(trifluoromethyl)-[1,1′-biphenyl]-4-yl)methanol

4-Chloromethyl-4'-trifluoromethyl-biphenyl

methyl 4-[(4E)-3-(4-cyanobenzyl)-5-(2-{[4'-(trifluoromethyl)biphenyl-4-yl]methoxy}phenyl)pent-4-en-1-yl]benzoate

Methyl 4-[(4E)-3-[4-(1H-tetrazol-5-yl)benzyl]-5-(2-{[4'-(trifluoromethyl)biphenyl-4-yl]methoxy}-phenyl)pent-4-en-1-yl]benzoate