Product Name

  • Name

    3-Cyclopropylmethoxy-4-difluoromethoxy-benzoic acid

  • EINECS 605-288-7
  • CAS No. 162401-62-9
  • Article Data21
  • CAS DataBase
  • Density 1.355 g/cm3
  • Solubility
  • Melting Point 118-120℃
  • Formula C12H12F2O4
  • Boiling Point 356.4 °C at 760 mmHg
  • Molecular Weight 258.222
  • Flash Point 169.4 °C
  • Transport Information
  • Appearance
  • Safety 45
  • Risk Codes 25
  • Molecular Structure Molecular Structure of 162401-62-9 (3-Cyclopropylmethoxy-4-difluoromethoxy-benzoic acid)
  • Hazard Symbols T
  • Synonyms 3-(Cyclopropylmethoxy)-4-(difluoromethoxy)benzoic acid;3-Cyclopropylmethoxy-4-difluoromethoxybenzoic acid;
  • PSA 55.76000
  • LogP 2.77500

Synthetic route

3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzoic acid methyl ester

3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzoic acid methyl ester

3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzoic acid
162401-62-9

3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzoic acid

Conditions
ConditionsYield
With sodium hydroxide In methanol at 50℃; for 3h;99%
With hydrogenchloride; water at 20 - 55℃; pH=3 - 4;
3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzaldehyde
151103-09-2

3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzaldehyde

3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzoic acid
162401-62-9

3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzoic acid

Conditions
ConditionsYield
With sodium chlorite; aminosulfonic acid In water; acetic acid at 20℃; for 1h;97%
With dihydrogen peroxide; potassium hydroxide In methanol at 65℃; for 1h;97%
With sodium chlorite; aminosulfonic acid In water; acetic acid at 20℃; for 1h; Concentration;97.3%
4-bromo-2-(cyclopropylmethoxy)-1-(difluoromethoxy)benzene
680184-55-8

4-bromo-2-(cyclopropylmethoxy)-1-(difluoromethoxy)benzene

carbon dioxide
124-38-9

carbon dioxide

3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzoic acid
162401-62-9

3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzoic acid

Conditions
ConditionsYield
Stage #1: 4-bromo-2-(cyclopropylmethoxy)-1-(difluoromethoxy)benzene With ethylmagnesium chloride In tetrahydrofuran; 1,2-dimethoxyethane for 1h; Reflux;
Stage #2: carbon dioxide In tetrahydrofuran; 1,2-dimethoxyethane
Stage #3: With hydrogenchloride In tetrahydrofuran; 1,2-dimethoxyethane; water Temperature; Solvent; Reagent/catalyst; Acidic conditions;		95%
3-cyclopropylmethoxy-4-hydroxybenzoic acid methyl ester

3-cyclopropylmethoxy-4-hydroxybenzoic acid methyl ester

sodium chlorodifluoroacetate
1895-39-2

sodium chlorodifluoroacetate

3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzoic acid
162401-62-9

3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzoic acid

Conditions
ConditionsYield
Stage #1: 3-cyclopropylmethoxy-4-hydroxybenzoic acid methyl ester; sodium chlorodifluoroacetate With potassium carbonate In N,N-dimethyl-formamide at 100℃; for 0.5h;
Stage #2: With water; sodium hydroxide In methanol at 50℃; for 2h;		81.4%
3-hydroxy-4-iodobenzoic acid
58123-77-6

3-hydroxy-4-iodobenzoic acid

3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzoic acid
162401-62-9

3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzoic acid

Conditions
ConditionsYield
Multi-step reaction with 6 steps
1: thionyl chloride / 3 h / 50 °C
2: potassium carbonate / N,N-dimethyl-formamide / 2 h / 80 °C / Large scale
3: potassium hydroxide; copper(l) iodide; 8-quinolinol / dimethyl sulfoxide / 30 h / 100 °C / Inert atmosphere; Large scale
4: thionyl chloride / 3 h / 50 °C
5: potassium carbonate / N,N-dimethyl-formamide / 1.25 h / 95 °C
6: sodium hydroxide / methanol / 3 h / 50 °C
View Scheme
Multi-step reaction with 6 steps
1: thionyl chloride / 3 h / 50 °C
2: potassium carbonate / N,N-dimethyl-formamide / 2 h / 80 °C / Large scale
3: potassium hydroxide; copper(l) iodide; 8-quinolinol / dimethyl sulfoxide / 30 h / 100 °C / Inert atmosphere; Large scale
4: thionyl chloride / 3 h / 50 °C
5: N,N-dimethyl-formamide / Heating
6: sodium hydroxide / methanol / 3 h / 50 °C
View Scheme
methyl 3-hydroxy-4-iodobenzoate
157942-12-6

methyl 3-hydroxy-4-iodobenzoate

3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzoic acid
162401-62-9

3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzoic acid

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1: potassium carbonate / N,N-dimethyl-formamide / 2 h / 80 °C / Large scale
2: potassium hydroxide; copper(l) iodide; 8-quinolinol / dimethyl sulfoxide / 30 h / 100 °C / Inert atmosphere; Large scale
3: thionyl chloride / 3 h / 50 °C
4: potassium carbonate / N,N-dimethyl-formamide / 1.25 h / 95 °C
5: sodium hydroxide / methanol / 3 h / 50 °C
View Scheme
Multi-step reaction with 5 steps
1: potassium carbonate / N,N-dimethyl-formamide / 2 h / 80 °C / Large scale
2: potassium hydroxide; copper(l) iodide; 8-quinolinol / dimethyl sulfoxide / 30 h / 100 °C / Inert atmosphere; Large scale
3: thionyl chloride / 3 h / 50 °C
4: N,N-dimethyl-formamide / Heating
5: sodium hydroxide / methanol / 3 h / 50 °C
View Scheme
methyl 3-(cyclopropylmethoxy)-4-iodobenzoate
1392191-29-5

methyl 3-(cyclopropylmethoxy)-4-iodobenzoate

3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzoic acid
162401-62-9

3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzoic acid

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: potassium hydroxide; copper(l) iodide; 8-quinolinol / dimethyl sulfoxide / 30 h / 100 °C / Inert atmosphere; Large scale
2: thionyl chloride / 3 h / 50 °C
3: N,N-dimethyl-formamide / Heating
4: sodium hydroxide / methanol / 3 h / 50 °C
View Scheme
Multi-step reaction with 4 steps
1: potassium hydroxide; copper(l) iodide; 8-quinolinol / dimethyl sulfoxide / 30 h / 100 °C / Inert atmosphere; Large scale
2: thionyl chloride / 3 h / 50 °C
3: potassium carbonate / N,N-dimethyl-formamide / 1.25 h / 95 °C
4: sodium hydroxide / methanol / 3 h / 50 °C
View Scheme
3-(cyclopropylmethoxy)-4-hydroxybenzoic acid
1243391-44-7

3-(cyclopropylmethoxy)-4-hydroxybenzoic acid

3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzoic acid
162401-62-9

3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzoic acid

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: thionyl chloride / 3 h / 50 °C
2: potassium carbonate / N,N-dimethyl-formamide / 1.25 h / 95 °C
3: sodium hydroxide / methanol / 3 h / 50 °C
View Scheme
Multi-step reaction with 3 steps
1: thionyl chloride / 3 h / 50 °C
2: N,N-dimethyl-formamide / Heating
3: sodium hydroxide / methanol / 3 h / 50 °C
View Scheme
3-cyclopropylmethoxy-4-hydroxybenzoic acid methyl ester

3-cyclopropylmethoxy-4-hydroxybenzoic acid methyl ester

3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzoic acid
162401-62-9

3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzoic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: potassium carbonate / N,N-dimethyl-formamide / 1.25 h / 95 °C
2: sodium hydroxide / methanol / 3 h / 50 °C
View Scheme
Multi-step reaction with 2 steps
1: N,N-dimethyl-formamide / Heating
2: sodium hydroxide / methanol / 3 h / 50 °C
View Scheme
4-difluoromethoxy-3-hydroxybenzaldehyde
151103-08-1

4-difluoromethoxy-3-hydroxybenzaldehyde

3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzoic acid
162401-62-9

3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzoic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: potassium carbonate; potassium iodide / acetone / 0.5 h / Inert atmosphere; Reflux
1.2: 12.5 h / 20 °C / Inert atmosphere; Reflux
2.1: aminosulfonic acid; sodium chlorite / water; acetonitrile / 5 h / 0 - 20 °C
View Scheme
Multi-step reaction with 2 steps
1: potassium carbonate / tetrahydrofuran / 14 h / 0 °C / Reflux
2: acetic acid; aminosulfonic acid; sodium chlorite / water / 1 h / 20 °C
View Scheme
Multi-step reaction with 2 steps
1.1: potassium carbonate; potassium iodide / dimethyl sulfoxide / 1 h / 70 °C
1.2: 4 h / 70 °C
2.1: acetic acid; aminosulfonic acid / 5 - 20 °C
View Scheme
3,4-dihydroxybenzaldehyde
139-85-5

3,4-dihydroxybenzaldehyde

3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzoic acid
162401-62-9

3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzoic acid

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: sodium hydroxide / N,N-dimethyl-formamide; water / 2 h / 120 °C
2: potassium carbonate / tetrahydrofuran / 14 h / 0 °C / Reflux
3: acetic acid; aminosulfonic acid; sodium chlorite / water / 1 h / 20 °C
View Scheme
Multi-step reaction with 3 steps
1.1: potassium carbonate / N,N-dimethyl-formamide / 20 - 85 °C
1.2: 8 - 10 h / Inert atmosphere
2.1: 1,8-diazabicyclo[5.4.0]undec-7-ene / tetrahydrofuran / 6 h / 75 - 80 °C
3.1: aminosulfonic acid; acetic acid / water / 5 - 10 °C
3.2: 1 h / 5 - 10 °C
View Scheme
Multi-step reaction with 3 steps
1: sodium hydroxide / N,N-dimethyl-formamide; water / 2 h / 120 °C
2: caesium carbonate / N,N-dimethyl-formamide / 1 h / 65 °C
3: potassium hydroxide; dihydrogen peroxide / methanol / 1 h / 20 °C
View Scheme
4-benzyloxy-3-hydroxy-benzaldehyde
4049-39-2

4-benzyloxy-3-hydroxy-benzaldehyde

3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzoic acid
162401-62-9

3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzoic acid

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: caesium carbonate / N,N-dimethyl-formamide / 1 h / 65 °C
2: palladium 10% on activated carbon; hydrogen / ethyl acetate / 2 h / 20 °C
3: sodium hydroxide / N,N-dimethyl-formamide / 2 h / 120 °C
4: potassium hydroxide; dihydrogen peroxide / methanol / 1 h / 65 °C
View Scheme
Multi-step reaction with 4 steps
1.1: potassium carbonate / N,N-dimethyl-formamide / 2 h / 80 °C
2.1: N-iodo-succinimide; potassium carbonate / 24 h / 20 °C
3.1: palladium 10% on activated carbon; hydrogen / methanol / 18 h
4.1: potassium carbonate / N,N-dimethyl-formamide / 0.5 h / 100 °C
4.2: 2 h / 50 °C
View Scheme
4-(benzyloxy)-3-(cyclopropylmethoxy)benzaldehyde
1381886-14-1

4-(benzyloxy)-3-(cyclopropylmethoxy)benzaldehyde

3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzoic acid
162401-62-9

3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzoic acid

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: palladium 10% on activated carbon; hydrogen / ethyl acetate / 2 h / 20 °C
2: sodium hydroxide / N,N-dimethyl-formamide / 2 h / 120 °C
3: potassium hydroxide; dihydrogen peroxide / methanol / 1 h / 65 °C
View Scheme
Multi-step reaction with 3 steps
1.1: N-iodo-succinimide; potassium carbonate / 24 h / 20 °C
2.1: palladium 10% on activated carbon; hydrogen / methanol / 18 h
3.1: potassium carbonate / N,N-dimethyl-formamide / 0.5 h / 100 °C
3.2: 2 h / 50 °C
View Scheme
3-(cyclopropylmethoxy)-4-hydroxybenzaldehyde
25934-52-5

3-(cyclopropylmethoxy)-4-hydroxybenzaldehyde

3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzoic acid
162401-62-9

3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzoic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: sodium hydroxide / N,N-dimethyl-formamide / 2 h / 120 °C
2: potassium hydroxide; dihydrogen peroxide / methanol / 1 h / 65 °C
View Scheme
vanillin
121-33-5

vanillin

3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzoic acid
162401-62-9

3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzoic acid

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1.1: sodium hydroxide / N,N-dimethyl-formamide / 2 h / 90 °C
2.1: lithium chloride / N,N-dimethyl-formamide / Reflux
3.1: potassium carbonate / tetrahydrofuran / 1 h / 20 °C
4.1: acetic acid / 0.5 h / 20 °C
4.2: 5 - 20 °C
View Scheme
4-(difluoromethoxy)-3-methoxybenzaldehyde
162401-70-9

4-(difluoromethoxy)-3-methoxybenzaldehyde

3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzoic acid
162401-62-9

3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzoic acid

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: lithium chloride / N,N-dimethyl-formamide / Reflux
2.1: potassium carbonate / tetrahydrofuran / 1 h / 20 °C
3.1: acetic acid / 0.5 h / 20 °C
3.2: 5 - 20 °C
View Scheme
3-fluoro-4-hydroxybenzaldehyde
405-05-0

3-fluoro-4-hydroxybenzaldehyde

3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzoic acid
162401-62-9

3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzoic acid

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: sodium hydroxide / N,N-dimethyl-formamide; water / 2 h / 95 - 100 °C
2: potassium tert-butylate / 1,4-dioxane / 4 h / 70 - 75 °C
3: aminosulfonic acid; sodium chlorite; acetic acid / water / 0.5 h / 0 - 10 °C
View Scheme
3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzoic acid
162401-62-9

3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzoic acid

3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoyl chloride
672883-68-0

3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoyl chloride

Conditions
ConditionsYield
With thionyl chloride In toluene for 2h; Heating / reflux;100%
With thionyl chloride In toluene for 2h; Reflux;100%
With oxalyl dichloride; N,N-dimethyl-formamide In dichloromethane at 25℃; for 3h;100%
3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzoic acid
162401-62-9

3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzoic acid

methyl iodide
74-88-4

methyl iodide

3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzoic acid methyl ester

3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzoic acid methyl ester

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl acetamide at 75 - 85℃; for 1h;98.1%
With potassium carbonate In N,N-dimethyl acetamide at 75 - 85℃; for 1h;98.1%
3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzoic acid
162401-62-9

3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzoic acid

3,5-dichloro-4-aminopyridine
22889-78-7

3,5-dichloro-4-aminopyridine

roflumilast
162401-32-3

roflumilast

Conditions
ConditionsYield
Stage #1: 3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzoic acid With pyridine; 2,4,6-trinitrochlorobenzene In 1,4-dioxane at 20 - 35℃; for 3h; Industrial scale;
Stage #2: 3,5-dichloro-4-aminopyridine In 1,4-dioxane for 2h; Reagent/catalyst; Solvent; Temperature; Industrial scale;		95%
Stage #1: 3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzoic acid With 4-methyl-morpholine; 2-chloro-4,6-dimethoxy-1 ,3,5-triazine In dichloromethane at 0 - 20℃; for 3h;
Stage #2: 3,5-dichloro-4-aminopyridine In dichloromethane for 2h; Concentration;		91%
Stage #1: 3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzoic acid With pivaloyl chloride; sodium carbonate In tetrahydrofuran at 25℃; for 2h;
Stage #2: 3,5-dichloro-4-aminopyridine In tetrahydrofuran at 50℃; for 4h; Temperature; Solvent; Reagent/catalyst;		64%
Stage #1: 3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzoic acid With thionyl chloride In toluene Heating / reflux;
Stage #2: 3,5-dichloro-4-aminopyridine With sodium hydride In tetrahydrofuran for 1h; Cooling;		58.6%
3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzoic acid
162401-62-9

3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzoic acid

roflumilast
162401-32-3

roflumilast

Conditions
ConditionsYield
Large scale;93%
Multi-step reaction with 2 steps
1.1: dimethyl sulfoxide / 3 h / 20 °C
2.1: cesium fluoride / dimethyl sulfoxide / 3 h / 90 °C
2.2: 6.5 h / 90 - 95 °C
View Scheme
3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzoic acid
162401-62-9

3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzoic acid

glycine ethyl ester hydrochloride
5680-79-5

glycine ethyl ester hydrochloride

2-(3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzamido)acetic acid methyl ester

2-(3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzamido)acetic acid methyl ester

Conditions
ConditionsYield
Stage #1: 3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzoic acid With 1-hydroxy-7-aza-benzotriazole; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃; for 0.5h;
Stage #2: glycine ethyl ester hydrochloride With N-ethyl-N,N-diisopropylamine In dichloromethane at 0 - 20℃; for 10h;		87%
Stage #1: 3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzoic acid With 1-hydroxy-7-aza-benzotriazole; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃; for 0.5h;
Stage #2: glycine ethyl ester hydrochloride With N-ethyl-N,N-diisopropylamine In dichloromethane at 0 - 20℃; for 10h;		87%
Stage #1: 3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzoic acid With 1-hydroxy-7-aza-benzotriazole; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃; for 0.5h; Inert atmosphere;
Stage #2: glycine ethyl ester hydrochloride With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; Cooling with ice;		86.1%
Stage #1: 3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzoic acid With 1-hydroxy-7-aza-benzotriazole; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃; for 0.5h;
Stage #2: glycine ethyl ester hydrochloride With N-ethyl-N,N-diisopropylamine at 20℃; Cooling with ice;		86.1%
3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzoic acid
162401-62-9

3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzoic acid

3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoyl fluoride

3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoyl fluoride

Conditions
ConditionsYield
With diethylamino-sulfur trifluoride In dichloromethane at 0℃; for 0.5h;80%
3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzoic acid
162401-62-9

3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzoic acid

1-(3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl)-2-(3,5-dichloro-1-pyridin-4-yl)ethanone
1113061-20-3, 1239278-70-6, 1246537-42-7

1-(3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl)-2-(3,5-dichloro-1-pyridin-4-yl)ethanone

1-(3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl)-2-(3,5-dichloropyridin-4-yl)ethyl 3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoate
1113061-14-5

1-(3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl)-2-(3,5-dichloropyridin-4-yl)ethyl 3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoate

Conditions
ConditionsYield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃; for 72h;77%
2-hydroxypyridin
142-08-5

2-hydroxypyridin

3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzoic acid
162401-62-9

3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzoic acid

pyridin-2-yl 3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoate

pyridin-2-yl 3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoate

Conditions
ConditionsYield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃; Inert atmosphere;76%
3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzoic acid
162401-62-9

3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzoic acid

ethyl Bromopyruvate
70-23-5

ethyl Bromopyruvate

C17H16F2O6

C17H16F2O6

Conditions
ConditionsYield
With dipotassium hydrogenphosphate; bis[dichloro(pentamethylcyclopentadienyl)iridium(III)]; silver(I) acetate In 2,2,2-trifluoroethanol at 140℃; for 24h;75%
With dipotassium hydrogenphosphate; bis[dichloro(pentamethylcyclopentadienyl)iridium(III)]; 1,1'-binaphthyl-2,2'-diyl hydrogenphosphate; silver(I) acetate; XPhos In 2,2,2-trifluoroethanol at 140℃; for 24h; Sealed tube;75%
3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzoic acid
162401-62-9

3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzoic acid

(S)-3,5-dichloro-4-(2-(3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl)-2-hydroxyethyl)pyridine 1-oxide

(S)-3,5-dichloro-4-(2-(3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl)-2-hydroxyethyl)pyridine 1-oxide

(S)-3,5-dichloro-4-(2-(3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoyloxy)-2-(3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl)ethyl)pyridine 1-oxide
1548868-68-3

(S)-3,5-dichloro-4-(2-(3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoyloxy)-2-(3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl)ethyl)pyridine 1-oxide

Conditions
ConditionsYield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃;71%
3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzoic acid
162401-62-9

3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzoic acid

3-bromo-1,1,1-trifluoroacetone
431-35-6

3-bromo-1,1,1-trifluoroacetone

C15H11F5O4

C15H11F5O4

Conditions
ConditionsYield
With dipotassium hydrogenphosphate; bis[dichloro(pentamethylcyclopentadienyl)iridium(III)]; silver(I) acetate In 2,2,2-trifluoroethanol at 140℃; for 24h;71%
With dipotassium hydrogenphosphate; bis[dichloro(pentamethylcyclopentadienyl)iridium(III)]; 1,1'-binaphthyl-2,2'-diyl hydrogenphosphate; silver(I) acetate; XPhos In 2,2,2-trifluoroethanol at 140℃; for 24h; Sealed tube;71%
3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzoic acid
162401-62-9

3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzoic acid

(S)-1-(3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl)-2-(3,5-dichloro-1-pyridin-4-yl)ethanol

(S)-1-(3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl)-2-(3,5-dichloro-1-pyridin-4-yl)ethanol

(S)-(-)-1-(3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl)-2-(3,5-dichloropyridin-4-yl)ethyl 3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoate
1548868-62-7

(S)-(-)-1-(3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl)-2-(3,5-dichloropyridin-4-yl)ethyl 3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoate

Conditions
ConditionsYield
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide at 20℃; for 3h;70%
3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzoic acid
162401-62-9

3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzoic acid

N-(p-toluenesulfonyl)aziridine
3634-89-7

N-(p-toluenesulfonyl)aziridine

C21H23F2NO6S

C21H23F2NO6S

Conditions
ConditionsYield
With mesitylenecarboxylic acid; palladium diacetate; caesium carbonate at 50℃; for 24h; Sealed tube;67%
3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzoic acid
162401-62-9

3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzoic acid

1-(4-nitro-benzenesulfonyl)-aziridine
43090-97-7

1-(4-nitro-benzenesulfonyl)-aziridine

C20H20F2N2O8S

C20H20F2N2O8S

Conditions
ConditionsYield
With mesitylenecarboxylic acid; palladium diacetate; caesium carbonate at 50℃; for 24h; Sealed tube;64%
3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzoic acid
162401-62-9

3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzoic acid

2,2,2-trifluoroethanol
75-89-8

2,2,2-trifluoroethanol

(3,3-difluoronon-4-yn-1-yl)benzene

(3,3-difluoronon-4-yn-1-yl)benzene

2,2,2-trifluoroethyl 5-(cyclopropylmethoxy)-4-(difluoromethoxy)-2-(6-oxo-9-phenylnon-4-en-5-yl)benzoate

2,2,2-trifluoroethyl 5-(cyclopropylmethoxy)-4-(difluoromethoxy)-2-(6-oxo-9-phenylnon-4-en-5-yl)benzoate

Conditions
ConditionsYield
With dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; sodium carbonate In 1,2-dichloro-ethane at 60℃; for 24h;61%
...Expand
3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzoic acid
162401-62-9

3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzoic acid

methyl iodide
74-88-4

methyl iodide

C26H26F4O8

C26H26F4O8

Conditions
ConditionsYield
Stage #1: 3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzoic acid With rhodium(III) chloride trihydrate; tetrabutylammonium acetate In N,N-dimethyl-formamide at 80℃; for 20h; Electrolysis;
Stage #2: methyl iodide		56%
3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzoic acid
162401-62-9

3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzoic acid

C22H25F4N3O2

C22H25F4N3O2

C34H35F6N3O5

C34H35F6N3O5

Conditions
ConditionsYield
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 for 2h;55%
3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzoic acid
162401-62-9

3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzoic acid

1-tosyl-2-methylaziridine
25856-77-3

1-tosyl-2-methylaziridine

C22H25F2NO6S

C22H25F2NO6S

Conditions
ConditionsYield
With mesitylenecarboxylic acid; palladium diacetate; caesium carbonate at 50℃; for 24h; Sealed tube;52%
3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzoic acid
162401-62-9

3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzoic acid

(3,3-difluoronon-4-yn-1-yl)benzene

(3,3-difluoronon-4-yn-1-yl)benzene

4-butyl-7-(cyclopropylmethoxy)-3-(1,1-difluoro-3-phenylpropyl)-6-(difluoromethoxy)-1H-isochromen-1-one

4-butyl-7-(cyclopropylmethoxy)-3-(1,1-difluoro-3-phenylpropyl)-6-(difluoromethoxy)-1H-isochromen-1-one

Conditions
ConditionsYield
With bis[dichloro(pentamethylcyclopentadienyl)iridium(III)]; silver(I) acetate In 2,2,2-trifluoroethanol at 20℃; for 24h;44%
3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzoic acid
162401-62-9

3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzoic acid

(3,3-difluoronon-4-yn-1-yl)benzene

(3,3-difluoronon-4-yn-1-yl)benzene

(E)-4-butyl-7-(cyclopropylmethoxy)-6-(difluoromethoxy)-3-(3-phenylprop-1-en-1-yl)-1H-isochromen-1-one

(E)-4-butyl-7-(cyclopropylmethoxy)-6-(difluoromethoxy)-3-(3-phenylprop-1-en-1-yl)-1H-isochromen-1-one

Conditions
ConditionsYield
With dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; cesium acetate; Trimethylacetic acid In methanol at 80℃; for 24h;40%
3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzoic acid
162401-62-9

3-(cyclopropylmethoxy)-4-(difluoromethoxy)-benzoic acid

C18H17F4N3O3

C18H17F4N3O3

C30H27F6N3O6

C30H27F6N3O6

Conditions
ConditionsYield
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 for 1.5h;38%

3-Cyclopropylmethoxy-4-difluoromethoxybenzoic acid Specification

The systematic name of this chemical is 3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoic acid. With the CAS registry number 162401-62-9, it is also named as benzoic acid, 3-(cyclopropylmethoxy)-4-(difluoromethoxy)-. The formula is C12H12F2O4 and molecular weight is 258.22. It is used as pharmaceutical intermediate.

The other characteristics of 3-Cyclopropylmethoxy-4-difluoromethoxy-benzoic acid can be summarized as: (1)ACD/LogP: 3.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.44; (4)ACD/LogD (pH 7.4): 0.07; (5)ACD/BCF (pH 5.5): 3; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 26.34; (8)ACD/KOC (pH 7.4): 1.12; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 44.76 Å2; (13)Index of Refraction: 1.528; (14)Molar Refractivity: 58.67 cm3; (15)Molar Volume: 190.5 cm3; (16)Polarizability: 23.25×10-24 cm3; (17)Surface Tension: 44.3 dyne/cm; (18)Density: 1.355 g/cm3; (19)Flash Point: 169.4 °C; (20)Enthalpy of Vaporization: 63.49 kJ/mol; (21)Boiling Point: 356.4 °C at 760 mmHg; (22)Vapour Pressure: 1.07E-05 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1. SMILES:FC(F)Oc2ccc(C(=O)O)cc2OCC1CC1
2. InChI:InChI=1/C12H12F2O4/c13-12(14)18-9-4-3-8(11(15)16)5-10(9)17-6-7-1-2-7/h3-5,7,12H,1-2,6H2,(H,15,16) 
3. InChIKey:IGFDIFLMMLWKKY-UHFFFAOYAI
4. Std. InChI:InChI=1S/C12H12F2O4/c13-12(14)18-9-4-3-8(11(15)16)5-10(9)17-6-7-1-2-7/h3-5,7,12H,1-2,6H2,(H,15,16) 
5. Std. InChIKey:IGFDIFLMMLWKKY-UHFFFAOYSA-N

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