Product Name

  • Name

    4-(Trifluoromethyl)benzoic acid

  • EINECS 207-242-8
  • CAS No. 455-24-3
  • Article Data219
  • CAS DataBase
  • Density 1.403 g/cm3
  • Solubility Soluble in water.
  • Melting Point 219-220 °C(lit.)
  • Formula C8H5F3O2
  • Boiling Point 243.2 °C at 760 mmHg
  • Molecular Weight 190.122
  • Flash Point 100.9 °C
  • Transport Information
  • Appearance white to light yellow crystal powder
  • Safety 26-36/37-24/25
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 455-24-3 (4-(Trifluoromethyl)benzoic acid)
  • Hazard Symbols IrritantXi
  • Synonyms alpha,alpha,alpha-Trifluoro-p-toluic acid;4-Carboxybenzotrifluoride;NSC 88327;
  • PSA 37.30000
  • LogP 2.40360

Synthetic route

4-Trifluoromethylbenzaldehyde
455-19-6

4-Trifluoromethylbenzaldehyde

4-trifluoromethylbenzoic acid
455-24-3

4-trifluoromethylbenzoic acid

Conditions
ConditionsYield
With C4H11FeMo6NO24(3-)*3C16H36N(1+); water; oxygen; sodium carbonate at 50℃; under 760.051 Torr; for 8h; Green chemistry;99%
With 4H3N*4H(1+)*CuMo6O18(OH)6(4-); water; oxygen; sodium carbonate at 50℃; under 760.051 Torr; for 12h;99%
With oxygen; copper(II) acetate monohydrate; cobalt(II) diacetate tetrahydrate In water at 70℃; under 760.051 Torr; for 1h;99%
1-(4-(trifluoromethyl)phenyl)ethane-1,2-diol
175605-64-8

1-(4-(trifluoromethyl)phenyl)ethane-1,2-diol

4-trifluoromethylbenzoic acid
455-24-3

4-trifluoromethylbenzoic acid

Conditions
ConditionsYield
With oxygen; sodium methylate; silver trifluoromethanesulfonate In tetrahydrofuran; methanol at 37℃; under 760.051 Torr; Sealed tube;99%
4-(trifluoromethyl)benzylic alcohol
349-95-1

4-(trifluoromethyl)benzylic alcohol

4-trifluoromethylbenzoic acid
455-24-3

4-trifluoromethylbenzoic acid

Conditions
ConditionsYield
With manganese(II) bromide; silver carbonate; potassium hydroxide In 1,3,5-trimethyl-benzene at 50 - 165℃; for 2h; Schlenk technique; Inert atmosphere;98%
With methyl 3,5-bis((1H-1,2,4-triazol-1-yl)methyl)benzoate; oxygen; sodium acetate; nickel dibromide at 120℃; under 760.051 Torr; for 72h;97%
With 3,5-Lutidine; 4-acetylamino-2,2,6,6-tetramethylpiperidine-N-oxyl; sodium persulfate; tris(2,2'‐bipyridine)ruthenium(II) hexafluorophosphate In water; acetonitrile at 20℃; for 48h; Sealed tube; Irradiation;95%
4-methylbenzotrifluoride
6140-17-6

4-methylbenzotrifluoride

4-trifluoromethylbenzoic acid
455-24-3

4-trifluoromethylbenzoic acid

Conditions
ConditionsYield
With formic acid; 1,10-ethyliden-3-octyl-7-trifluoromethylalloxazinium chloride; oxygen In acetonitrile at 40℃; for 24h; Irradiation;98%
With cerium(III) chloride; 1,1,1-trichloroethanol; oxygen In acetonitrile at 60℃; Irradiation;90%
With oxygen; Langlois reagent In acetonitrile at 25℃; for 12h; Irradiation; Green chemistry;87%
With pyridine; dipotassium peroxodisulfate; oxygen In acetonitrile at 80℃; under 760.051 Torr; for 16h; Green chemistry;72%
methyl 4-(trifluoromethyl)benzoate
2967-66-0

methyl 4-(trifluoromethyl)benzoate

4-trifluoromethylbenzoic acid
455-24-3

4-trifluoromethylbenzoic acid

Conditions
ConditionsYield
With iodine; aluminium In acetonitrile at 80℃; for 18h;98%
With lithium hydroxide monohydrate; water In ethanol at 25℃; for 12h;94.8%
With methanol; water; sodium hydroxide at 20℃; for 2h;68.4%
carbon dioxide
124-38-9

carbon dioxide

5,5-dimethyl-2-(4-trifluoromethyl-phenyl)-[1,3,2]dioxaborinane
501374-30-7

5,5-dimethyl-2-(4-trifluoromethyl-phenyl)-[1,3,2]dioxaborinane

4-trifluoromethylbenzoic acid
455-24-3

4-trifluoromethylbenzoic acid

Conditions
ConditionsYield
Stage #1: carbon dioxide; 5,5-dimethyl-2-(4-trifluoromethyl-phenyl)-[1,3,2]dioxaborinane With [Ni(N,N'-bis[2,6-bis(diphenylmethyl)-4-methylphenyl]imidazole-2-ylidene)(allyl)Cl]; potassium tert-butylate In toluene at 100℃; under 760.051 Torr; for 15h; Schlenk technique; Inert atmosphere;
Stage #2: With hydrogenchloride In water; ethyl acetate; toluene at 20℃;		97%
With potassium tert-butylate; copper(l) chloride; 1,3-bis[2,6-diisopropylphenyl]imidazolium chloride In tetrahydrofuran at 70℃; under 760.051 Torr; for 24h;92%
With (1,3-bis(2,6-diisopropyl-4-(morpholinomethyl)phenyl)imidazolidin-2-ylidene)copper(I) bromide; potassium tert-butylate In tetrahydrofuran under 760.051 Torr; for 24h; Inert atmosphere; Schlenk technique; Reflux; Green chemistry;90%
With 1,3-bis-(diphenylphosphino)propane; cesium fluoride; [Rh(OH)(cod)]2 In 1,4-dioxane at 60℃;76%
Stage #1: carbon dioxide; 5,5-dimethyl-2-(4-trifluoromethyl-phenyl)-[1,3,2]dioxaborinane With potassium tert-butylate; silver(I) acetate; triphenylphosphine In 1,4-dioxane at 100℃; under 15201 Torr; for 8h; Inert atmosphere; Autoclave;
Stage #2: With hydrogenchloride In tetrahydrofuran; water Inert atmosphere;		74%
methyl 3-oxo-3-(4-(trifluoromethyl)phenyl) propanedithioate
1448887-34-0

methyl 3-oxo-3-(4-(trifluoromethyl)phenyl) propanedithioate

4-trifluoromethylbenzoic acid
455-24-3

4-trifluoromethylbenzoic acid

Conditions
ConditionsYield
With sodium hydroxide In water at 100℃; for 9h; Reflux; chemoselective reaction;97%
carbon monoxide
201230-82-2

carbon monoxide

4-Iodobenzotrifluoride
455-13-0

4-Iodobenzotrifluoride

4-trifluoromethylbenzoic acid
455-24-3

4-trifluoromethylbenzoic acid

Conditions
ConditionsYield
With amphiphilic resin-supported phosphine-palladium; water; potassium carbonate at 25℃; under 760 Torr; for 12h; hydroxycarbonylation;96%
With water; potassium carbonate In acetonitrile; tert-butyl alcohol at 100℃; under 3750.38 Torr; for 0.0161111h;96%
With water; palladium diacetate; potassium carbonate at 20℃; under 760.051 Torr; for 7h;82%
With water; palladium diacetate; triethylamine; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene In 1,4-dioxane at 100℃; under 11251.1 Torr; Flow reactor;78%
With water; sodium carbonate; palladium diacetate at 20 - 165℃; under 10501.1 - 22502.3 Torr; for 0.333333h; microwave irradiation;59%
1-(4-trifluorophenyl)ethanol
1737-26-4

1-(4-trifluorophenyl)ethanol

4-trifluoromethylbenzoic acid
455-24-3

4-trifluoromethylbenzoic acid

Conditions
ConditionsYield
With sodium nitrate; water; oxygen In dimethyl sulfoxide at 130℃; for 24h;96%
4-trifluoromethyl-benzoyl fluoride
368-94-5

4-trifluoromethyl-benzoyl fluoride

4-trifluoromethylbenzoic acid
455-24-3

4-trifluoromethylbenzoic acid

Conditions
ConditionsYield
With water at 20℃; Temperature; Reflux;95.4%
1-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethanone
181308-89-4

1-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethanone

A

4-trifluoromethylbenzoic acid
455-24-3

4-trifluoromethylbenzoic acid

B

4-methoxybenzoic acid
100-09-4

4-methoxybenzoic acid

Conditions
ConditionsYield
With oxygen; potassium hydroxide at 20℃; Schlenk technique; chemoselective reaction;A 90%
B 93%
carbon monoxide
201230-82-2

carbon monoxide

4-chlorobenzotrifluoride
98-56-6

4-chlorobenzotrifluoride

4-trifluoromethylbenzoic acid
455-24-3

4-trifluoromethylbenzoic acid

Conditions
ConditionsYield
With 1,3-bis(dicyclohexylphosphino)propane bis(tetrafluoroborate) salt; water; palladium diacetate; potassium carbonate In dimethyl sulfoxide at 100℃; under 760.051 Torr; for 15h;92%
With potassium hydroxide; (bis(tricyclohexyl)phosphine)palladium(II) dichloride In water for 48h; Heating;500 % Turnov.
carbon dioxide
124-38-9

carbon dioxide

p-trifluoromethylphenyl bromide
402-43-7

p-trifluoromethylphenyl bromide

4-trifluoromethylbenzoic acid
455-24-3

4-trifluoromethylbenzoic acid

Conditions
ConditionsYield
With (4,4'-di-tert-butyl-2,2'-dipyridyl)-bis-(2-phenylpyridine(-1H))-iridium(III) hexafluorophosphate; 2-(diphenylphosphino)-2’(3-(dimethylamino)-3-oxopropyl)-6’-(3-(icosyloxy)-3-oxopropyl)biphenyl; water; palladium diacetate; N-ethyl-N,N-diisopropylamine In toluene under 760.051 Torr; for 16h; Inert atmosphere; Schlenk technique; Irradiation;92%
Stage #1: p-trifluoromethylphenyl bromide With bromobenzene; trifluoroacetic acid; cobalt(II) bromide; zinc dibromide; zinc In acetonitrile Inert atmosphere;
Stage #2: carbon dioxide With palladium diacetate; tricyclohexylphosphine In tetrahydrofuran; acetonitrile at 0℃; under 760.051 Torr; Inert atmosphere;
Stage #3: With hydrogenchloride In tetrahydrofuran; water; ethyl acetate; acetonitrile		90%
With tetrabutylammonium tetrafluoroborate In N,N-dimethyl-formamide at 20℃; under 760.051 Torr; for 4h; Electrolysis;78%
4-Trifluoromethylbenzaldehyde
455-19-6

4-Trifluoromethylbenzaldehyde

diethoxyphosphoryl-acetic acid ethyl ester
867-13-0

diethoxyphosphoryl-acetic acid ethyl ester

A

4-trifluoromethylbenzoic acid
455-24-3

4-trifluoromethylbenzoic acid

B

ethyl (E)-4-trifluoromethylcinnamate
101466-85-7, 128408-03-7

ethyl (E)-4-trifluoromethylcinnamate

Conditions
ConditionsYield
Stage #1: 4-Trifluoromethylbenzaldehyde; diethoxyphosphoryl-acetic acid ethyl ester With potassium carbonate for 6h; Horner-Wadsworth-Emmons olefination; Neat (no solvent); high-speed ball milling;
Stage #2: With Oxone for 12h; Neat (no solvent); high-speed ball milling; optical yield given as %de; diastereoselective reaction;		A n/a
B 91%
...Expand
carbon dioxide
124-38-9

carbon dioxide

4-(trifluoromethyl)phenylsulfurofluoridate

4-(trifluoromethyl)phenylsulfurofluoridate

4-trifluoromethylbenzoic acid
455-24-3

4-trifluoromethylbenzoic acid

Conditions
ConditionsYield
With manganese; bis(triphenylphosphine)nickel(II) chloride; 2.9-dimethyl-1,10-phenanthroline In N,N-dimethyl-formamide at 20℃; under 760.051 Torr; for 20h; Schlenk technique; Inert atmosphere; Glovebox;91%
ethyl 4-(trifluoromethyl)benzoate
583-02-8

ethyl 4-(trifluoromethyl)benzoate

4-trifluoromethylbenzoic acid
455-24-3

4-trifluoromethylbenzoic acid

Conditions
ConditionsYield
With water; potassium hydroxide at 115℃; for 1h;90%
(±)-1,2-bis(4-(trifluoromethyl)phenyl)ethane-1,2-diol
199166-26-2

(±)-1,2-bis(4-(trifluoromethyl)phenyl)ethane-1,2-diol

4-trifluoromethylbenzoic acid
455-24-3

4-trifluoromethylbenzoic acid

Conditions
ConditionsYield
Stage #1: (±)-1,2-bis(4-(trifluoromethyl)phenyl)ethane-1,2-diol With oxygen; sodium t-butanolate In tetrahydrofuran at 20℃; under 760.051 Torr; for 3.5h;
Stage #2: With hydrogenchloride In tetrahydrofuran; water pH=1; chemoselective reaction;		89%
Stage #1: (±)-1,2-bis(4-(trifluoromethyl)phenyl)ethane-1,2-diol With 2,3,4,5,6-pentamethyliodobenzene; oxygen; isobutyraldehyde In 1,2-dichloro-ethane under 760.051 Torr; for 24h;
Stage #2: With sodium chlorite; 2-methyl-but-2-ene In aq. phosphate buffer; 1,2-dichloro-ethane; tert-butyl alcohol at 25℃; for 14h;		79%
With oxygen In dichloromethane at 20℃; under 760.051 Torr; for 12h; Irradiation;78%
carbon dioxide
124-38-9

carbon dioxide

4-Iodobenzotrifluoride
455-13-0

4-Iodobenzotrifluoride

4-trifluoromethylbenzoic acid
455-24-3

4-trifluoromethylbenzoic acid

Conditions
ConditionsYield
With 3,4-benzo-1,1,2,2-tetraethyl-1,2-disilacyclobut-3-ene; cesium fluoride In N,N-dimethyl-formamide at 0 - 20℃; under 760.051 Torr; for 2h;88%
p-trifluoromethylbenzamide
1891-90-3

p-trifluoromethylbenzamide

4-trifluoromethylbenzoic acid
455-24-3

4-trifluoromethylbenzoic acid

Conditions
ConditionsYield
With acetic acid; isopentyl nitrite at 80℃; for 24h; Inert atmosphere;86%
2-(4-trifluoromethylphenyl)ethanol
2968-93-6

2-(4-trifluoromethylphenyl)ethanol

4-trifluoromethylbenzoic acid
455-24-3

4-trifluoromethylbenzoic acid

Conditions
ConditionsYield
With oxygen; sodium t-butanolate In tetrahydrofuran at 20℃; under 750.075 Torr; for 12h; chemoselective reaction;86%
carbon monoxide
201230-82-2

carbon monoxide

p-trifluoromethylphenyl bromide
402-43-7

p-trifluoromethylphenyl bromide

4-trifluoromethylbenzoic acid
455-24-3

4-trifluoromethylbenzoic acid

Conditions
ConditionsYield
With water; potassium carbonate In acetonitrile; tert-butyl alcohol at 120℃; under 30003 Torr; for 7h;85%
carbon dioxide
124-38-9

carbon dioxide

p-trifluoromethylphenyl bromide
402-43-7

p-trifluoromethylphenyl bromide

A

α,α,α-trifluorotoluene
98-08-8

α,α,α-trifluorotoluene

B

4-trifluoromethylbenzoic acid
455-24-3

4-trifluoromethylbenzoic acid

Conditions
ConditionsYield
With 1,2-bis(diphenylphosphino)ethane nickel(II) chloride In tetrahydrofuran; N,N,N,N,N,N-hexamethylphosphoric triamide for 10h; Ambient temperature; electrochemically;A 2.4 mmol
B 84%
...Expand
formic acid
64-18-6

formic acid

p-trifluoromethylphenyl bromide
402-43-7

p-trifluoromethylphenyl bromide

4-trifluoromethylbenzoic acid
455-24-3

4-trifluoromethylbenzoic acid

Conditions
ConditionsYield
With palladium diacetate; triethylamine; dicyclohexyl-carbodiimide; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene In N,N-dimethyl-formamide at 80℃; for 10h; Inert atmosphere; Sealed tube;84%
With N,N,N,N,-tetramethylethylenediamine; α,α′-bis(2-pyridyl(tert-butyl)phosphino)-o-xylene; palladium diacetate In N,N-dimethyl-formamide at 115℃; for 24h; Temperature; Inert atmosphere;80%
4-(trifluoromethyl)mandelic acid
395-35-7

4-(trifluoromethyl)mandelic acid

A

4-Trifluoromethylbenzaldehyde
455-19-6

4-Trifluoromethylbenzaldehyde

B

4-trifluoromethylbenzoic acid
455-24-3

4-trifluoromethylbenzoic acid

Conditions
ConditionsYield
With sodium hydroxide; oxygen; CoCl2 In water; dimethyl sulfoxide at 125℃; under 760.051 Torr; for 24h; Title compound not separated from byproducts.;A 17%
B 83%
carbon dioxide
124-38-9

carbon dioxide

sodium 4-trifluoromethylbenzenesulfinate

sodium 4-trifluoromethylbenzenesulfinate

4-trifluoromethylbenzoic acid
455-24-3

4-trifluoromethylbenzoic acid

Conditions
ConditionsYield
With copper(l) iodide; 1,10-Phenanthroline; potassium tert-butylate In dimethyl sulfoxide at 140℃; under 750.075 Torr; for 3h; Schlenk technique; Sealed tube;83%
carbon dioxide
124-38-9

carbon dioxide

Sodium; 4-trifluoromethyl-benzenesulfonate
360-27-0

Sodium; 4-trifluoromethyl-benzenesulfonate

4-trifluoromethylbenzoic acid
455-24-3

4-trifluoromethylbenzoic acid

Conditions
ConditionsYield
Stage #1: carbon dioxide; Sodium; 4-trifluoromethyl-benzenesulfonate With copper(l) iodide; potassium tert-butylate; o-phenanthroline In dimethyl sulfoxide at 140℃; under 760.051 Torr; for 12h; Schlenk technique;
Stage #2: With hydrogenchloride In water; dimethyl sulfoxide Schlenk technique;		81%
carbon dioxide
124-38-9

carbon dioxide

dimethyl(4-(trifluoromethyl)phenyl)sulfonium trifluoromethanesulfonate

dimethyl(4-(trifluoromethyl)phenyl)sulfonium trifluoromethanesulfonate

4-trifluoromethylbenzoic acid
455-24-3

4-trifluoromethylbenzoic acid

Conditions
ConditionsYield
With 2.9-dimethyl-1,10-phenanthroline; neocuproine; zinc In dimethyl sulfoxide at 20℃; under 760.051 Torr; for 16h;81%
1-(4-(trifluoromethyl)phenyl)cyclohexanol
29480-13-5

1-(4-(trifluoromethyl)phenyl)cyclohexanol

4-trifluoromethylbenzoic acid
455-24-3

4-trifluoromethylbenzoic acid

Conditions
ConditionsYield
With iron(III) chloride; cerium(III) chloride; tetrabutyl-ammonium chloride; oxygen In acetonitrile at 20℃; under 760.051 Torr; for 24h; Schlenk technique; Irradiation;81%
carbon dioxide
124-38-9

carbon dioxide

4-chlorobenzotrifluoride
98-56-6

4-chlorobenzotrifluoride

A

α,α,α-trifluorotoluene
98-08-8

α,α,α-trifluorotoluene

B

4-trifluoromethylbenzoic acid
455-24-3

4-trifluoromethylbenzoic acid

Conditions
ConditionsYield
With tetrabutylammomium bromide In N,N-dimethyl-formamide at 5℃; electrolysis (I=0.4 A);A 3 % Chromat.
B 80%
...Expand
4-trifluoromethylbenzoic acid
455-24-3

4-trifluoromethylbenzoic acid

4-trifluoromethyl-phenyl acetyl chloride
329-15-7

4-trifluoromethyl-phenyl acetyl chloride

Conditions
ConditionsYield
With thionyl chloride Reflux;100%
With thionyl chloride for 2h; Reflux;100%
Stage #1: 4-trifluoromethylbenzoic acid With N,N-dimethyl-formamide In dichloromethane at 0℃; for 0.0833333h;
Stage #2: With oxalyl dichloride In dichloromethane at 20℃; for 12h;		100%
4-trifluoromethylbenzoic acid
455-24-3

4-trifluoromethylbenzoic acid

N,O-dimethylhydroxylamine*hydrochloride
6638-79-5

N,O-dimethylhydroxylamine*hydrochloride

N-methoxy-N-methyl-4-trifluoromethylbenzamide
116332-61-7

N-methoxy-N-methyl-4-trifluoromethylbenzamide

Conditions
ConditionsYield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine In N,N-dimethyl-formamide at 0 - 20℃; for 2h;100%
Stage #1: 4-trifluoromethylbenzoic acid With 1,1'-carbonyldiimidazole In dichloromethane at 0 - 23℃;
Stage #2: N,O-dimethylhydroxylamine*hydrochloride With triethylamine In dichloromethane at 0℃; for 2h;		95%
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine In dichloromethane at 0 - 20℃;95%
n-heptan1ol
111-70-6

n-heptan1ol

4-trifluoromethylbenzoic acid
455-24-3

4-trifluoromethylbenzoic acid

heptyl 4-(trifluoromethyl)benzoate
959086-76-1

heptyl 4-(trifluoromethyl)benzoate

Conditions
ConditionsYield
With Candida antarctica lipase B immobilised in a macroporous DVB crosslinked polymer (Novozym 435) In cyclohexane at 80℃; for 24h; Enzymatic reaction;100%
4-trifluoromethylbenzoic acid
455-24-3

4-trifluoromethylbenzoic acid

C21H33N3O
1619984-56-3

C21H33N3O

N-((2R,3S,4S,4aS)-3,4a,8,8-tetramethyl-4-((4-(trifluoromethyl)benzamido)methyl)-decahydronaphthalen-2-yl)nicotinamide
1619983-84-4

N-((2R,3S,4S,4aS)-3,4a,8,8-tetramethyl-4-((4-(trifluoromethyl)benzamido)methyl)-decahydronaphthalen-2-yl)nicotinamide

Conditions
ConditionsYield
With dicyclohexyl-carbodiimide In dichloromethane at 20℃; for 18h; Inert atmosphere;100%
4-trifluoromethylbenzoic acid
455-24-3

4-trifluoromethylbenzoic acid

tetramethyl ammoniumhydroxide
75-59-2

tetramethyl ammoniumhydroxide

C8H4F3O2(1-)*C4H12N(1+)

C8H4F3O2(1-)*C4H12N(1+)

Conditions
ConditionsYield
With water In ethanol at 0 - 20℃; for 0.0833333h;100%
4-trifluoromethylbenzoic acid
455-24-3

4-trifluoromethylbenzoic acid

4-(trifluoromethyl)benzylic alcohol
349-95-1

4-(trifluoromethyl)benzylic alcohol

Conditions
ConditionsYield
With C25H42N6Rh(1+)*CF3O3S(1-); phenylsilane In tetrahydrofuran at 30℃; for 20h; Inert atmosphere;99%
Stage #1: 4-trifluoromethylbenzoic acid With 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; N-ethyl-N,N-diisopropylamine In ethyl acetate at 0℃; for 0.166667h;
Stage #2: With sodium tetrahydroborate In water; ethyl acetate at 0℃; for 0.466667h;		90%
With cobalt(II) tetrafluoroborate hexahydrate; hydrogen; [2-((diphenylphospino)methyl)-2-methyl-1,3-propanediyl]bis[diphenylphosphine] In tetrahydrofuran at 100℃; under 60006 Torr; for 22h;82%
2,2-dimethyl-propanol-1
75-84-3

2,2-dimethyl-propanol-1

4-trifluoromethylbenzoic acid
455-24-3

4-trifluoromethylbenzoic acid

2,2-dimethyl-1-propanol-mono(p-trifluoro-methylbenzoate)

2,2-dimethyl-1-propanol-mono(p-trifluoro-methylbenzoate)

Conditions
ConditionsYield
With sulfuric acid In toluene99%
With sulfuric acid In toluene99%
With sulfuric acid In toluene99%
4-trifluoromethylbenzoic acid
455-24-3

4-trifluoromethylbenzoic acid

phenylboronic acid
98-80-6

phenylboronic acid

phenyl[4-(trifluoromethyl)phenyl]methanone
728-86-9

phenyl[4-(trifluoromethyl)phenyl]methanone

Conditions
ConditionsYield
With dimethyl dicarbonate; tetrakis(triphenylphosphine) palladium(0) In 1,4-dioxane at 80℃; for 6h;99%
Stage #1: 4-trifluoromethylbenzoic acid With di(succinimido) carbonate; sodium carbonate; tricyclohexylphosphine; palladium(II) hexafluoroacetylacetonate In tetrahydrofuran at 60℃;
Stage #2: phenylboronic acid In tetrahydrofuran at 60℃; for 20h; Further stages.;		89%
Stage #1: 4-trifluoromethylbenzoic acid With potassium phosphate In 1,4-dioxane at 20℃; for 0.0833333h; Inert atmosphere;
Stage #2: With 2-chloro-1,3-dimethylimidazolinium chloride In 1,4-dioxane at 20℃; for 2h; Inert atmosphere;
Stage #3: phenylboronic acid With tetrakis(triphenylphosphine) palladium(0) In 1,4-dioxane at 90℃; for 16h; Inert atmosphere; Sealed tube;		62%
With 2,2-dimethylpropanoic anhydride; tricyclohexylphosphine In tetrahydrofuran; water at 60℃; for 16h;40%
4-trifluoromethylbenzoic acid
455-24-3

4-trifluoromethylbenzoic acid

benzyl alcohol
100-51-6

benzyl alcohol

4-trifluoromethyl-benzoic acid benzyl ester

4-trifluoromethyl-benzoic acid benzyl ester

Conditions
ConditionsYield
With [Cl(C6F13C2H4)2SnOSn(C2H4C6F13)2Cl]2 In various solvent(s) at 150℃; for 10h;99%
With 2-butyl-1,3-diphenyl-1,3,2-diazaphospholidine; 1,1'-azodicarbonyl-dipiperidine In 1,2-dichloro-ethane at 40℃; under 760.051 Torr; Mitsunobu Displacement;89%
4-trifluoromethylbenzoic acid
455-24-3

4-trifluoromethylbenzoic acid

benzylamine
100-46-9

benzylamine

N-benzyl-4-trifluoromethylbenzamide

N-benzyl-4-trifluoromethylbenzamide

Conditions
ConditionsYield
With 14C2H2F3O(1-)*6C4H8O*La2Na8(14+) at 80℃; for 6h; Inert atmosphere;99%
With borane-ammonia complex In 5,5-dimethyl-1,3-cyclohexadiene for 6h; Reflux;99%
With tetrachloromethane; Bis(p-nitrophenyl) phosphate; 3-Methyl-1-phenyl-2-phospholene 1-oxide In toluene at 110℃; for 20h; Green chemistry;98%
4-trifluoromethylbenzoic acid
455-24-3

4-trifluoromethylbenzoic acid

aniline
62-53-3

aniline

N-phenyl 4-trifluoromethylbenzamide
347-80-8

N-phenyl 4-trifluoromethylbenzamide

Conditions
ConditionsYield
With fluorosulfonyl fluoride; N-ethyl-N,N-diisopropylamine In acetonitrile at 20℃; for 5h;99%
With 2,4,6-trimethyl-pyridine; dmap; carbon tetrabromide In N,N-dimethyl-formamide for 0.5h; UV-irradiation;94 %Spectr.
para-iodoanisole
696-62-8

para-iodoanisole

4-trifluoromethylbenzoic acid
455-24-3

4-trifluoromethylbenzoic acid

2,6-bis(4-methoxyphenyl)-4-(trifluoromethyl)benzoic acid

2,6-bis(4-methoxyphenyl)-4-(trifluoromethyl)benzoic acid

Conditions
ConditionsYield
With C30H54N6Ru(2+)*2BF4(1-); potassium perfluoro-tert-butoxide; potassium carbonate at 140℃; for 24h; Glovebox; Inert atmosphere;99%
4-trifluoromethylbenzoic acid
455-24-3

4-trifluoromethylbenzoic acid

methyl 5-amino-4'-carbamoyl-[1,1'-biphenyl]-3-carboxylate

methyl 5-amino-4'-carbamoyl-[1,1'-biphenyl]-3-carboxylate

methyl 4'-carbamoyl-5-(4-(trifluoromethyl)benzamido)-[1,1'-biphenyl]-3-carboxylate

methyl 4'-carbamoyl-5-(4-(trifluoromethyl)benzamido)-[1,1'-biphenyl]-3-carboxylate

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine; HATU In N,N-dimethyl-formamide at 20℃; for 15h;99%
With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In N,N-dimethyl-formamide at 20℃; for 15h;99%
10-Undecen-1-ol
112-43-6

10-Undecen-1-ol

4-trifluoromethylbenzoic acid
455-24-3

4-trifluoromethylbenzoic acid

undec-10-en-1-yl 4-(trifluoromethyl)benzoate

undec-10-en-1-yl 4-(trifluoromethyl)benzoate

Conditions
ConditionsYield
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 20℃; Inert atmosphere;99%
4-trifluoromethylbenzoic acid
455-24-3

4-trifluoromethylbenzoic acid

potassium 4-(trifluoromethyl)benzoate
1195761-03-5

potassium 4-(trifluoromethyl)benzoate

Conditions
ConditionsYield
With potassium tert-butylate In ethanol at 20℃; Inert atmosphere;98%
With potassium tert-butylate In ethanol at 20℃; for 3h;98%
4-trifluoromethylbenzoic acid
455-24-3

4-trifluoromethylbenzoic acid

benzyl azide
622-79-7

benzyl azide

N-benzyl-4-trifluoromethylbenzamide

N-benzyl-4-trifluoromethylbenzamide

Conditions
ConditionsYield
With phenylsilane; triphenylphosphine In toluene at 20 - 60℃; for 21h; Reagent/catalyst; Staudinger Azide Reduction; Inert atmosphere; chemoselective reaction;98%
With 2-chloro-4,4,5,5-tetramethyl-1,3,2-dioxaphospholane; triethylamine In chlorobenzene at 20 - 130℃; for 14h;85%
4-trifluoromethylbenzoic acid
455-24-3

4-trifluoromethylbenzoic acid

p-aminoethylbenzoate
94-09-7

p-aminoethylbenzoate

ethyl 4-(4-(trifluoromethyl)benzamido)benzoate

ethyl 4-(4-(trifluoromethyl)benzamido)benzoate

Conditions
ConditionsYield
Stage #1: 4-trifluoromethylbenzoic acid With dichlorotriphenylphosphorane In chloroform at 20℃; for 0.25h; Inert atmosphere;
Stage #2: p-aminoethylbenzoate In chloroform at 100℃; Inert atmosphere; Irradiation;		98%
4-trifluoromethylbenzoic acid
455-24-3

4-trifluoromethylbenzoic acid

phenylmagnesium bromide
100-58-3

phenylmagnesium bromide

phenyl[4-(trifluoromethyl)phenyl]methanone
728-86-9

phenyl[4-(trifluoromethyl)phenyl]methanone

Conditions
ConditionsYield
Stage #1: 4-trifluoromethylbenzoic acid With tert-butylmagnesium chloride In tetrahydrofuran; toluene at 0℃; for 0.25h; Inert atmosphere;
Stage #2: phenylmagnesium bromide With diisopropylaminomagnesium chloride lithium chloride In tetrahydrofuran; toluene at 0 - 20℃; for 3.25h; Inert atmosphere; Sonication;		98%
1-hydroxy-pyrrolidine-2,5-dione
6066-82-6

1-hydroxy-pyrrolidine-2,5-dione

4-trifluoromethylbenzoic acid
455-24-3

4-trifluoromethylbenzoic acid

2,5-dioxopyrrolidin-1-yl 4-(trifluoromethyl)benzoate

2,5-dioxopyrrolidin-1-yl 4-(trifluoromethyl)benzoate

Conditions
ConditionsYield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 0 - 20℃; for 16h; Inert atmosphere;97%
With dicyclohexyl-carbodiimide In 1,4-dioxane at 20℃; for 3h; Inert atmosphere;67%
With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine In dichloromethane at 25℃; for 2h;
4-trifluoromethylbenzoic acid
455-24-3

4-trifluoromethylbenzoic acid

1-t-Butoxycarbonylpiperazine
57260-71-6

1-t-Butoxycarbonylpiperazine

tert-butyl 4-(4-(trifluoromethyl)benzoyl)piperazine-1-carboxylate
1327712-44-6

tert-butyl 4-(4-(trifluoromethyl)benzoyl)piperazine-1-carboxylate

Conditions
ConditionsYield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃; for 8h;97%
Stage #1: 4-trifluoromethylbenzoic acid With N-ethyl-N,N-diisopropylamine; HATU In N,N-dimethyl-formamide at 20℃; for 0.5h;
Stage #2: 1-t-Butoxycarbonylpiperazine In N,N-dimethyl-formamide at 20℃; for 16h;
4-trifluoromethylbenzoic acid
455-24-3

4-trifluoromethylbenzoic acid

Propargylamine
2450-71-7

Propargylamine

4-(trifluoromethyl)-N-(prop-2-yn-1-yl)benzamide
1250690-13-1

4-(trifluoromethyl)-N-(prop-2-yn-1-yl)benzamide

Conditions
ConditionsYield
With benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; triethylamine In dichloromethane97%
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine In N,N-dimethyl-formamide at 20℃; for 12h; Concentration; Inert atmosphere;93.2%
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine In N,N-dimethyl-formamide at 20℃; for 12h; Inert atmosphere;70.5%
4-trifluoromethylbenzoic acid
455-24-3

4-trifluoromethylbenzoic acid

bis(pinacol)diborane
73183-34-3

bis(pinacol)diborane

4-trifluoromethylphenylboronic acid pinacol ester
214360-65-3

4-trifluoromethylphenylboronic acid pinacol ester

Conditions
ConditionsYield
With palladium diacetate; 2,2-dimethylpropanoic anhydride; triethylamine; 1,4-di(diphenylphosphino)-butane In 1,4-dioxane at 160℃; for 15h;97%
With biphenyl; naphthalene-1,4-dicarbonitrile In water; acetonitrile at 30℃; for 6h; Inert atmosphere; UV-irradiation;34%
4-trifluoromethylbenzoic acid
455-24-3

4-trifluoromethylbenzoic acid

Benzhydrylamine
91-00-9

Benzhydrylamine

N-benzhydryl-4-(trifluoromethyl)benzamide

N-benzhydryl-4-(trifluoromethyl)benzamide

Conditions
ConditionsYield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃; for 12h; Inert atmosphere; Schlenk technique;97%

4-(Trifluoromethyl)benzoic acid Chemical Properties

Synonyms: Benzoic acid, 4-(trifluoromethyl)-
The Molecular formula of 4-Trifluoromethyl benzoic acid (CAS NO.455-24-3): C8H5F3O2
The Molecular Weight of 4-Trifluoromethyl benzoic acid (CAS NO.455-24-3): 190.12
Molecular Structure : 
EINECS: 207-242-8
Melting point: 219-220 °C(lit.)
Boiling point: 243.2 °C at 760 mmHg
Flash Point: 100.9 °C
Density: 1.403 g/cm3

4-(Trifluoromethyl)benzoic acid Safety Profile

The Hazard Codes of 4-Trifluoromethyl benzoic acid (CAS NO.455-24-3):   Xi
The Risk Statements information of 4-Trifluoromethyl benzoic acid (CAS NO.455-24-3):
36/37/38:  Irritating to eyes, respiratory system and skin 
The Safety Statements information of 4-Trifluoromethyl benzoic acid (CAS NO.455-24-3):
26:  In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 
24/25:  Avoid contact with skin and eyes 
36/37:  Wear suitable protective clothing and gloves 
WGK Germany: 3
Hazard Note: Irritant
TSCA: T
HS Code: 29163900

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