Product Name

  • Name

    2,4,5-Trifluoro-3-methoxybenzoic acid

  • EINECS -0
  • CAS No. 112811-65-1
  • Article Data10
  • CAS DataBase
  • Density 1.487 g/cm3
  • Solubility
  • Melting Point 105-112 °C(lit.)
  • Formula C8H5F3O3
  • Boiling Point 284.3 °C at 760 mmHg
  • Molecular Weight 206.121
  • Flash Point 125.7 °C
  • Transport Information UN 1760 8/PG 2
  • Appearance white to light yellow crystal powder
  • Safety 26-36
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 112811-65-1 (2,4,5-Trifluoro-3-methoxybenzoic acid)
  • Hazard Symbols IrritantXi
  • Synonyms 2,4,5-Trifluoro-3-methoxybenzoicacid;
  • PSA 46.53000
  • LogP 1.81070

Synthetic route

Tri-n-octylamine
1116-76-3

Tri-n-octylamine

4-methoxy-3,5,6-trifluorophthalic acid
28889-41-0

4-methoxy-3,5,6-trifluorophthalic acid

3-methoxy-2,4,5-trifluorobenzoic acid
112811-65-1

3-methoxy-2,4,5-trifluorobenzoic acid

Conditions
ConditionsYield
With sodium hydroxide87%
2,4,5-trifluoro-3-hydroxybenzoic acid
116751-24-7

2,4,5-trifluoro-3-hydroxybenzoic acid

carbonic acid dimethyl ester
616-38-6

carbonic acid dimethyl ester

3-methoxy-2,4,5-trifluorobenzoic acid
112811-65-1

3-methoxy-2,4,5-trifluorobenzoic acid

Conditions
ConditionsYield
With potassium dihydrogenphosphate; N-ethyl-N,N-diisopropylamine In water at 170℃; for 8h; Reagent/catalyst; Solvent; Temperature; Autoclave;85.2%
Stage #1: 2,4,5-trifluoro-3-hydroxybenzoic acid; carbonic acid dimethyl ester With sodium hydroxide at 55 - 60℃; for 2h; pH=8 - 10; Large scale;
Stage #2: With hydrogenchloride In water at 35℃; Large scale;		85%
methyl 3-methoxy-2,4,5-trifluorobenzoate
136897-64-8

methyl 3-methoxy-2,4,5-trifluorobenzoate

3-methoxy-2,4,5-trifluorobenzoic acid
112811-65-1

3-methoxy-2,4,5-trifluorobenzoic acid

Conditions
ConditionsYield
With sodium hydroxide In methanol for 3h; Ambient temperature;61%
With sodium hydroxide In methanol
2,4,5-trifluoro-3-methoxy-benzamide
112811-64-0

2,4,5-trifluoro-3-methoxy-benzamide

3-methoxy-2,4,5-trifluorobenzoic acid
112811-65-1

3-methoxy-2,4,5-trifluorobenzoic acid

Conditions
ConditionsYield
With sodium hydroxide In water
With sulfuric acid
With sulfuric acid at 100℃; for 3.5h;
3-methoxy-2,4,5-trifluorobenzonitrile
112811-63-9

3-methoxy-2,4,5-trifluorobenzonitrile

3-methoxy-2,4,5-trifluorobenzoic acid
112811-65-1

3-methoxy-2,4,5-trifluorobenzoic acid

Conditions
ConditionsYield
With sulfuric acid; sodium nitrite In water
Multi-step reaction with 2 steps
1: sulfuric acid; water / 1 h / 110 °C
2: sulfuric acid / 3.5 h / 100 °C
View Scheme
1-bromo-2,4,5-trifluoro-3-methoxybenzene
13332-24-6

1-bromo-2,4,5-trifluoro-3-methoxybenzene

3-methoxy-2,4,5-trifluorobenzoic acid
112811-65-1

3-methoxy-2,4,5-trifluorobenzoic acid

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 1-methyl-pyrrolidin-2-one / 4.5 h / 140 - 150 °C
2: sulfuric acid; water / 1 h / 110 °C
3: sulfuric acid / 3.5 h / 100 °C
View Scheme
N-methyl-tetrafluorophthalimide
33795-85-6

N-methyl-tetrafluorophthalimide

3-methoxy-2,4,5-trifluorobenzoic acid
112811-65-1

3-methoxy-2,4,5-trifluorobenzoic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: sodium hydroxide / 10 h / Reflux
1.2: 8 h / 70 - 105 °C
2.1: 2 h / 35 - 80 °C / pH 8.55 - > 12 / Alkaline conditions
View Scheme
Multi-step reaction with 4 steps
1: sodium hydroxide; zinc(II) chloride / water / 8 h / 100 °C / Large scale
2: hydrogenchloride / Reflux
3: sodium hydroxide / 2 h / 55 - 60 °C / pH 8 - 10
4: hydrogenchloride / water
View Scheme
Multi-step reaction with 3 steps
1.1: water; zinc(II) chloride; sodium hydroxide / 8 h / 100 °C / Large scale
2.1: hydrogenchloride / water / Reflux
3.1: sodium hydroxide / 2 h / 55 - 60 °C / pH 8 - 10 / Large scale
3.2: 35 °C / Large scale
View Scheme
2,4,5-trifluoro-3-hydroxybenzoic acid
116751-24-7

2,4,5-trifluoro-3-hydroxybenzoic acid

dimethyl sulfate
77-78-1

dimethyl sulfate

3-methoxy-2,4,5-trifluorobenzoic acid
112811-65-1

3-methoxy-2,4,5-trifluorobenzoic acid

Conditions
ConditionsYield
at 35 - 80℃; for 2h; pH=8.55 - > 12; Temperature; pH-value; Alkaline conditions;
3,4,5,6-tetrafluorophthalic acid
652-03-9

3,4,5,6-tetrafluorophthalic acid

3-methoxy-2,4,5-trifluorobenzoic acid
112811-65-1

3-methoxy-2,4,5-trifluorobenzoic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: sodium hydroxide / water / 9 h / 90 °C
1.2: 7 h / 140 °C / 7500.75 Torr / pH 1
2.1: N-ethyl-N,N-diisopropylamine; potassium dihydrogenphosphate / water / 8 h / 170 °C / Autoclave
View Scheme
C8F3O5(3-)*3Na(1+)

C8F3O5(3-)*3Na(1+)

3-methoxy-2,4,5-trifluorobenzoic acid
112811-65-1

3-methoxy-2,4,5-trifluorobenzoic acid

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: hydrogenchloride / Reflux
2: sodium hydroxide / 2 h / 55 - 60 °C / pH 8 - 10
3: hydrogenchloride / water
View Scheme
2,4,5-trifluoro-3-hydroxybenzoic acid
116751-24-7

2,4,5-trifluoro-3-hydroxybenzoic acid

3-methoxy-2,4,5-trifluorobenzoic acid
112811-65-1

3-methoxy-2,4,5-trifluorobenzoic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: sodium hydroxide / 2 h / 55 - 60 °C / pH 8 - 10
2: hydrogenchloride / water
View Scheme
C8H4F3O3(1-)*Na(1+)

C8H4F3O3(1-)*Na(1+)

3-methoxy-2,4,5-trifluorobenzoic acid
112811-65-1

3-methoxy-2,4,5-trifluorobenzoic acid

Conditions
ConditionsYield
With hydrogenchloride In water818.86 mg
3-methoxy-2,4,5-trifluorobenzoic acid
112811-65-1

3-methoxy-2,4,5-trifluorobenzoic acid

2,4,5-trifluoro-3-methoxybenzoyl chloride
112811-66-2

2,4,5-trifluoro-3-methoxybenzoyl chloride

Conditions
ConditionsYield
With thionyl chloride for 2h; Reflux;100%
With thionyl chloride; sodium chloride In ethyl acetate Reflux;98%
With phosgene In dichloromethane at 40℃; for 5h; Solvent; Temperature;98.7%
3-methoxy-2,4,5-trifluorobenzoic acid
112811-65-1

3-methoxy-2,4,5-trifluorobenzoic acid

2,4,5-trifluoro-3-methoxy-benzamide
112811-64-0

2,4,5-trifluoro-3-methoxy-benzamide

Conditions
ConditionsYield
Stage #1: 3-methoxy-2,4,5-trifluorobenzoic acid With oxalyl dichloride; N,N-dimethyl-formamide In dichloromethane at 20℃; for 1.5h;
Stage #2: With ammonia In dichloromethane at 0℃; for 2h;		100%
Multi-step reaction with 2 steps
1: oxalyl dichloride / dichloromethane; N,N-dimethyl-formamide / 20 h / 20 °C
2: ammonia / tetrahydrofuran / 1.17 h / -50 - 20 °C
View Scheme
Multi-step reaction with 2 steps
1: oxalyl dichloride / dichloromethane; N,N-dimethyl-formamide / 2 h / 20 °C / Inert atmosphere
2: ammonium hydroxide / dichloromethane / 2.5 h / 0 - 20 °C
View Scheme
ethanol
64-17-5

ethanol

3-methoxy-2,4,5-trifluorobenzoic acid
112811-65-1

3-methoxy-2,4,5-trifluorobenzoic acid

ethyl 2,4,5-trifluoro-3-methoxybenzoate
351354-45-5

ethyl 2,4,5-trifluoro-3-methoxybenzoate

Conditions
ConditionsYield
With sulfuric acid at 80℃; for 18h;99%
With sulfuric acid at 80℃; for 18h;99%
With sulfuric acid for 20h; Heating / reflux;91%
2-methoxyphenyl 2-chloroacetate
30287-15-1

2-methoxyphenyl 2-chloroacetate

3-methoxy-2,4,5-trifluorobenzoic acid
112811-65-1

3-methoxy-2,4,5-trifluorobenzoic acid

C17H12ClF3O5
1434871-02-9

C17H12ClF3O5

Conditions
ConditionsYield
With methanesulfonic acid; phosphorus pentoxide at 50℃; for 14h; Friedel-Crafts Acylation; Inert atmosphere;90%
With eaton’s reagent at 60℃;90%
triphenyltin chloride
639-58-7

triphenyltin chloride

3-methoxy-2,4,5-trifluorobenzoic acid
112811-65-1

3-methoxy-2,4,5-trifluorobenzoic acid

[(triphenyltin)(2,4,5-trifluoro-3-methoxybenzoic acid(-H)(1-))]

[(triphenyltin)(2,4,5-trifluoro-3-methoxybenzoic acid(-H)(1-))]

Conditions
ConditionsYield
With sodium ethoxide In benzene (N2); organic ligand, sodium ethoxide added in benzene to a Schlenk flask; stirred for 10 min; triphenyltin chloride added to mixt. (in 1:1:1 molar ratio); stirred for 12 h at 40°C; filtered; filtrate gradually evapd.; recrystallized from ether-petroleum; elem. anal.;88%
trimethyltin(IV)chloride
1066-45-1

trimethyltin(IV)chloride

3-methoxy-2,4,5-trifluorobenzoic acid
112811-65-1

3-methoxy-2,4,5-trifluorobenzoic acid

[(trimethyltin)(2,4,5-trifluoro-3-methoxybenzoic acid(-H)(1-))]n
919299-24-4

[(trimethyltin)(2,4,5-trifluoro-3-methoxybenzoic acid(-H)(1-))]n

Conditions
ConditionsYield
With sodium ethoxide In benzene (N2); organic ligand, sodium ethoxide added in benzene to a Schlenk flask; stirred for 10 min; trimethyltin chloride added to mixt. (in 1:1:1 molar ratio); stirred for 12 h at 40°C; filtered; filtrate gradually evapd.; recrystallized from ether-petroleum; elem. anal.;87%
dimethyltin dichloride
753-73-1

dimethyltin dichloride

3-methoxy-2,4,5-trifluorobenzoic acid
112811-65-1

3-methoxy-2,4,5-trifluorobenzoic acid

[(dimethyltin)(2,4,5-trifluoro-3-methoxybenzoic acid(-H)(1-))2]

[(dimethyltin)(2,4,5-trifluoro-3-methoxybenzoic acid(-H)(1-))2]

Conditions
ConditionsYield
With sodium ethoxide In benzene (N2); organic ligand, sodium ethoxide added in benzene to a Schlenk flask; stirred for 10 min; dimethyltin dichloride added to mixt. (in 2:2:1 molar ratio); stirred for 12 h at 40°C; filtered; filtrate gradually evapd.; recrystallized from ether-petroleum; elem. anal.;85%
dibenzyltin(IV) dichloride
3002-01-5

dibenzyltin(IV) dichloride

3-methoxy-2,4,5-trifluorobenzoic acid
112811-65-1

3-methoxy-2,4,5-trifluorobenzoic acid

[(dibenzyltin)(2,4,5-trifluoro-3-methoxybenzoic acid(-H)(1-))2]

[(dibenzyltin)(2,4,5-trifluoro-3-methoxybenzoic acid(-H)(1-))2]

Conditions
ConditionsYield
With sodium ethoxide In benzene (N2); organic ligand, sodium ethoxide added in benzene to a Schlenk flask; stirred for 10 min; dibenzyltin dichloride added to mixt. (in 2:2:1 molar ratio); stirred for 12 h at 40°C; filtered; filtrate gradually evapd.; recrystallized from ether-petroleum; elem. anal.;85%
diphenyltin(IV) dichloride
1135-99-5

diphenyltin(IV) dichloride

3-methoxy-2,4,5-trifluorobenzoic acid
112811-65-1

3-methoxy-2,4,5-trifluorobenzoic acid

[(diphenyltin)(2,4,5-trifluoro-3-methoxybenzoic acid(-H)(1-))2]

[(diphenyltin)(2,4,5-trifluoro-3-methoxybenzoic acid(-H)(1-))2]

Conditions
ConditionsYield
With sodium ethoxide In benzene (N2); organic ligand, sodium ethoxide added in benzene to a Schlenk flask; stirred for 10 min; diphenyltin dichloride added to mixt. (in 2:2:1 molar ratio); stirred for 12 h at 40°C; filtered; filtrate gradually evapd.; recrystallized from ether-petroleum; elem. anal.;83%
ethyl (E)-3-(dimethylamino)acrylate
1117-37-9

ethyl (E)-3-(dimethylamino)acrylate

3-methoxy-2,4,5-trifluorobenzoic acid
112811-65-1

3-methoxy-2,4,5-trifluorobenzoic acid

Ethyl 3-dimethylamino-2-(3-methoxy-2,4,5-trifluorobenzoyl) acrylate
121577-35-3

Ethyl 3-dimethylamino-2-(3-methoxy-2,4,5-trifluorobenzoyl) acrylate

Conditions
ConditionsYield
With thionyl chloride; triethylamine In tetrahydrofuran; dichloromethane; water; N,N-dimethyl-formamide; toluene81.6%
6-chloronicotinylaldehyde
23100-12-1

6-chloronicotinylaldehyde

12-(tert-butoxycarbonylamino)dodecylisocyanide
1026147-10-3

12-(tert-butoxycarbonylamino)dodecylisocyanide

2,4-Dimethoxybenzylamine
20781-20-8

2,4-Dimethoxybenzylamine

3-methoxy-2,4,5-trifluorobenzoic acid
112811-65-1

3-methoxy-2,4,5-trifluorobenzoic acid

tert-butyl 12-(2-(N-(2,4-dimethoxybenzyl)-2,4,5-trifluoro-3-methoxybenzamido)-2-(6-chloropyridin-3-yl)acetamido)dodecylcarbamate
1026147-15-8

tert-butyl 12-(2-(N-(2,4-dimethoxybenzyl)-2,4,5-trifluoro-3-methoxybenzamido)-2-(6-chloropyridin-3-yl)acetamido)dodecylcarbamate

Conditions
ConditionsYield
Stage #1: 6-chloronicotinylaldehyde; 2,4-Dimethoxybenzylamine at 20℃; for 0.416667h;
Stage #2: 12-(tert-butoxycarbonylamino)dodecylisocyanide; 3-methoxy-2,4,5-trifluorobenzoic acid at 60℃; for 0.5h; Further stages.;		81%
...Expand
dibutyltin chloride
683-18-1

dibutyltin chloride

3-methoxy-2,4,5-trifluorobenzoic acid
112811-65-1

3-methoxy-2,4,5-trifluorobenzoic acid

[(di-n-butyltin)(2,4,5-trifluoro-3-methoxybenzoic acid(-H)(1-))2]

[(di-n-butyltin)(2,4,5-trifluoro-3-methoxybenzoic acid(-H)(1-))2]

Conditions
ConditionsYield
With sodium ethoxide In benzene (N2); organic ligand, sodium ethoxide added in benzene to a Schlenk flask; stirred for 10 min; di-n-butyltin dichloride added to mixt. (in 2:2:1molar ratio); stirred for 12 h at 40°C; filtered; filtrate gradually evapd.; recrystallized from ether-petroleum; elem. anal.;80%
di(n-butyl)tin oxide
818-08-6

di(n-butyl)tin oxide

3-methoxy-2,4,5-trifluorobenzoic acid
112811-65-1

3-methoxy-2,4,5-trifluorobenzoic acid

C64H88F12O14Sn4*C64H88F12O14Sn4

C64H88F12O14Sn4*C64H88F12O14Sn4

Conditions
ConditionsYield
In ethanol at 50 - 65℃; for 18h; Temperature; Time;80%
tributyltin chloride
1461-22-9

tributyltin chloride

3-methoxy-2,4,5-trifluorobenzoic acid
112811-65-1

3-methoxy-2,4,5-trifluorobenzoic acid

[(tri-n-butyltin)(2,4,5-trifluoro-3-methoxybenzoic acid(-H)(1-))]n
919299-25-5

[(tri-n-butyltin)(2,4,5-trifluoro-3-methoxybenzoic acid(-H)(1-))]n

Conditions
ConditionsYield
With sodium ethoxide In benzene (N2); organic ligand, sodium ethoxide added in benzene to a Schlenk flask; stirred for 10 min; tri-n-butyltin chloride added to mixt. (in 1:1:1 molar ratio); stirred for 12 h at 40°C; filtered; filtrate gradually evapd.; recrystallized from ether-petroleum; elem. anal.;78%
tribenzyltin(IV) chloride
3151-41-5

tribenzyltin(IV) chloride

3-methoxy-2,4,5-trifluorobenzoic acid
112811-65-1

3-methoxy-2,4,5-trifluorobenzoic acid

[(tribenzyltin)(2,4,5-trifluoro-3-methoxybenzoic acid(-H)(1-))]

[(tribenzyltin)(2,4,5-trifluoro-3-methoxybenzoic acid(-H)(1-))]

Conditions
ConditionsYield
With sodium ethoxide In benzene (N2); organic ligand, sodium ethoxide added in benzene to a Schlenk flask; stirred for 10 min; tribenzyltin chloride added to mixt. (in 1:1:1 molar ratio); stirred for 12 h at 40°C; filtered; filtrate gradually evapd.; recrystallized from ether-petroleum; elem. anal.;77%
N-(2,6-dimethoxyphenyl)acetamide
131157-26-1

N-(2,6-dimethoxyphenyl)acetamide

3-methoxy-2,4,5-trifluorobenzoic acid
112811-65-1

3-methoxy-2,4,5-trifluorobenzoic acid

C18H16F3NO5
1434871-04-1

C18H16F3NO5

Conditions
ConditionsYield
With methanesulfonic acid; phosphorus pentoxide at 50℃; for 14h; Friedel-Crafts Acylation; Inert atmosphere;76%
piperonal
120-57-0

piperonal

12-(tert-butoxycarbonylamino)dodecylisocyanide
1026147-10-3

12-(tert-butoxycarbonylamino)dodecylisocyanide

2,4-Dimethoxybenzylamine
20781-20-8

2,4-Dimethoxybenzylamine

3-methoxy-2,4,5-trifluorobenzoic acid
112811-65-1

3-methoxy-2,4,5-trifluorobenzoic acid

tert-butyl 12-(2-(N-(2,4-dimethoxybenzyl)-2,4,5-trifluoro-3-methoxybenzamido)-2-(benzo[d][1,3]dioxol-5-yl)acetamido)dodecylcarbamate
1026147-16-9

tert-butyl 12-(2-(N-(2,4-dimethoxybenzyl)-2,4,5-trifluoro-3-methoxybenzamido)-2-(benzo[d][1,3]dioxol-5-yl)acetamido)dodecylcarbamate

Conditions
ConditionsYield
Stage #1: piperonal; 2,4-Dimethoxybenzylamine at 20℃; for 0.416667h;
Stage #2: 12-(tert-butoxycarbonylamino)dodecylisocyanide; 3-methoxy-2,4,5-trifluorobenzoic acid at 60℃; for 0.6h; Further stages.;		74%
...Expand
3-methoxy-2,4,5-trifluorobenzoic acid
112811-65-1

3-methoxy-2,4,5-trifluorobenzoic acid

tert-butyl alcohol
75-65-0

tert-butyl alcohol

tert-butyl (2,4,5-trifluoro-3-methoxyphenyl)carbamate

tert-butyl (2,4,5-trifluoro-3-methoxyphenyl)carbamate

Conditions
ConditionsYield
With diphenyl phosphoryl azide; N-ethyl-N,N-diisopropylamine In toluene at 0 - 100℃; for 16h;74%
2,6-dimethoxyphenyl chloroacetate
1440-81-9

2,6-dimethoxyphenyl chloroacetate

3-methoxy-2,4,5-trifluorobenzoic acid
112811-65-1

3-methoxy-2,4,5-trifluorobenzoic acid

(2,3-dihydroxy-4-methoxyphenyl)(2,4,5-trifluoro-3-methoxyphenyl)methanone
1434871-03-0

(2,3-dihydroxy-4-methoxyphenyl)(2,4,5-trifluoro-3-methoxyphenyl)methanone

Conditions
ConditionsYield
With methanesulfonic acid; phosphorus pentoxide at 50℃; for 12h; Friedel-Crafts Acylation; Inert atmosphere;71%
1-methyl-pyrrolidin-2-one
872-50-4

1-methyl-pyrrolidin-2-one

3-methoxy-2,4,5-trifluorobenzoic acid
112811-65-1

3-methoxy-2,4,5-trifluorobenzoic acid

2,3,6-trifluoroanisole
4920-34-7

2,3,6-trifluoroanisole

Conditions
ConditionsYield
In water70%
6-chloronicotinylaldehyde
23100-12-1

6-chloronicotinylaldehyde

12-(tert-butoxycarbonylamino)dodecylisocyanide
1026147-10-3

12-(tert-butoxycarbonylamino)dodecylisocyanide

4-methoxy-aniline
104-94-9

4-methoxy-aniline

3-methoxy-2,4,5-trifluorobenzoic acid
112811-65-1

3-methoxy-2,4,5-trifluorobenzoic acid

tert-butyl 12-(2-(6-chloropyridin-3-yl)-2-(2,4,5-trifluoro-3-methoxy-N-(4-methoxyphenyl)benzamido)acetamido)dodecylcarbamate
1026147-25-0

tert-butyl 12-(2-(6-chloropyridin-3-yl)-2-(2,4,5-trifluoro-3-methoxy-N-(4-methoxyphenyl)benzamido)acetamido)dodecylcarbamate

Conditions
ConditionsYield
Stage #1: 6-chloronicotinylaldehyde; 4-methoxy-aniline at 20℃; for 0.333333h;
Stage #2: 12-(tert-butoxycarbonylamino)dodecylisocyanide; 3-methoxy-2,4,5-trifluorobenzoic acid at 60℃; for 0.7h; Further stages.;		61%
...Expand
europium(III) nitrate hexahydrate

europium(III) nitrate hexahydrate

3-methoxy-2,4,5-trifluorobenzoic acid
112811-65-1

3-methoxy-2,4,5-trifluorobenzoic acid

3C8H4F3O3(1-)*H2O*Eu(3+)

3C8H4F3O3(1-)*H2O*Eu(3+)

Conditions
ConditionsYield
With sodium hydroxide In methanol; water pH=6;55.29%
gadolinium(III) nitrate hexahydrate

gadolinium(III) nitrate hexahydrate

3-methoxy-2,4,5-trifluorobenzoic acid
112811-65-1

3-methoxy-2,4,5-trifluorobenzoic acid

3C8H4F3O3(1-)*H2O*Gd(3+)

3C8H4F3O3(1-)*H2O*Gd(3+)

Conditions
ConditionsYield
With sodium hydroxide In methanol; water pH=6;53.08%
piperonal
120-57-0

piperonal

12-(tert-butoxycarbonylamino)dodecylisocyanide
1026147-10-3

12-(tert-butoxycarbonylamino)dodecylisocyanide

4-methoxy-aniline
104-94-9

4-methoxy-aniline

3-methoxy-2,4,5-trifluorobenzoic acid
112811-65-1

3-methoxy-2,4,5-trifluorobenzoic acid

tert-butyl 12-(2-(benzo[d][1,3]dioxol-5-yl)-2-(2,4,5-trifluoro-3-methoxy-N-(4-methoxyphenyl)benzamido)acetamido)dodecylcarbamate
1026147-22-7

tert-butyl 12-(2-(benzo[d][1,3]dioxol-5-yl)-2-(2,4,5-trifluoro-3-methoxy-N-(4-methoxyphenyl)benzamido)acetamido)dodecylcarbamate

Conditions
ConditionsYield
Stage #1: piperonal; 4-methoxy-aniline at 20℃; for 0.333333h;
Stage #2: 12-(tert-butoxycarbonylamino)dodecylisocyanide; 3-methoxy-2,4,5-trifluorobenzoic acid at 60℃; for 0.7h; Further stages.;		53%
...Expand
terbium(III) nitrate hexahydrate

terbium(III) nitrate hexahydrate

3-methoxy-2,4,5-trifluorobenzoic acid
112811-65-1

3-methoxy-2,4,5-trifluorobenzoic acid

3C8H4F3O3(1-)*Tb(3+)*H2O

3C8H4F3O3(1-)*Tb(3+)*H2O

Conditions
ConditionsYield
With sodium hydroxide In methanol; water pH=6;46.05%
3-methoxy-2,4,5-trifluorobenzoic acid
112811-65-1

3-methoxy-2,4,5-trifluorobenzoic acid

ethyl 1-cyclopropyl-6,7-difluoro-8-methoxy-2-methylsulfanyl-4-oxo-1,4-dihydroquinoline-3-carboxylate
922492-57-7

ethyl 1-cyclopropyl-6,7-difluoro-8-methoxy-2-methylsulfanyl-4-oxo-1,4-dihydroquinoline-3-carboxylate

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1.1: oxalyl chloride; DMF / CH2Cl2 / 20 °C
2.1: n-BuLi / hexane; tetrahydrofuran / -78 °C
2.2: hexane; tetrahydrofuran; CH2Cl2 / -78 - 10 °C
3.1: sodium hydride / dimethylformamide / 0 - 20 °C
3.2: 92 percent / dimethylformamide / 24 h / 20 °C
4.1: sodium hydride / dimethylformamide / 75 °C
View Scheme
Multi-step reaction with 4 steps
1.1: thionyl chloride; sodium chloride / ethyl acetate / 4 h / Reflux; Inert atmosphere
2.1: magnesium chloride / ethyl acetate / 0.5 h / 20 °C / Inert atmosphere
2.2: 0.5 h / 20 °C / Inert atmosphere
2.3: 2 h / Inert atmosphere; Reflux
3.1: potassium hydroxide; tetrabutylammomium bromide / N,N-dimethyl-formamide / 0.5 h / 20 °C / Inert atmosphere
3.2: 16 h / 0 - 20 °C / Inert atmosphere
3.3: 3 h / Inert atmosphere
4.1: potassium tert-butylate / toluene / 16 h / Inert atmosphere; Reflux
View Scheme
3-methoxy-2,4,5-trifluorobenzoic acid
112811-65-1

3-methoxy-2,4,5-trifluorobenzoic acid

ethyl 1-cyclopropyl-6,7-difluoro-2-methanesulfinyl-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylate
922492-58-8

ethyl 1-cyclopropyl-6,7-difluoro-2-methanesulfinyl-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylate

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1.1: oxalyl chloride; DMF / CH2Cl2 / 20 °C
2.1: n-BuLi / hexane; tetrahydrofuran / -78 °C
2.2: hexane; tetrahydrofuran; CH2Cl2 / -78 - 10 °C
3.1: sodium hydride / dimethylformamide / 0 - 20 °C
3.2: 92 percent / dimethylformamide / 24 h / 20 °C
4.1: sodium hydride / dimethylformamide / 75 °C
5.1: m-chloroperbenzoic acid / CH2Cl2 / 20 °C
View Scheme

2,4,5-Trifluoro-3-methoxybenzoic acid Specification

The Benzoic acid,2,4,5-trifluoro-3-methoxy-, with the CAS registry number 112811-65-1, has the systematic name of 2,4,5-trifluoro-3-methoxybenzoic acid. The molecular formula of this chemical is C8H5F3O3. It is a kind of white to light yellow crystal powder, and always used as medicine intermediate, and mainly used in the synthesis of quinolones broad - spectrum antibiotic.

The physical properties of Benzoic acid,2,4,5-trifluoro-3-methoxy- are as following: (1)ACD/LogP: 2.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.21; (4)ACD/LogD (pH 7.4): -0.75; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.18; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.486; (14)Molar Refractivity: 39.84 cm3; (15)Molar Volume: 138.5 cm3; (16)Polarizability: 15.79×10-24cm3; (17)Surface Tension: 39.4 dyne/cm; (18)Density: 1.487 g/cm3; (19)Flash Point: 125.7 °C; (20)Enthalpy of Vaporization: 55.27 kJ/mol; (21)Boiling Point: 284.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00141 mmHg at 25°C. 

You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(F)cc(c(F)c1OC)C(=O)O
(2)InChI: InChI=1/C8H5F3O3/c1-14-7-5(10)3(8(12)13)2-4(9)6(7)11/h2H,1H3,(H,12,13)
(3)InChIKey: YVJHZWWMKFQKDC-UHFFFAOYAN

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