Product Name

  • Name

    2,4-Di-tert-butyl-5-nitrophenyl methyl carbonate

  • EINECS
  • CAS No. 873055-55-1
  • Article Data34
  • CAS DataBase
  • Density 1.11 g/cm3
  • Solubility
  • Melting Point
  • Formula C16H23NO5
  • Boiling Point 383.484 °C at 760 mmHg
  • Molecular Weight 309.362
  • Flash Point 134.684 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 873055-55-1 (2,4-Di-tert-butyl-5-nitrophenyl methyl carbonate)
  • Hazard Symbols
  • Synonyms (2,4-Ditert-butyl-5-nitro-phenyl) methyl carbonate;Carbonic acid 2,4-bis(1,1-dimethylethyl)-5-nitrophenyl methyl ester;
  • PSA 81.35000
  • LogP 4.85820

Synthetic route

carbonic acid 2,4-di-tert-butyl-phenyl ester methyl ester
873055-54-0

carbonic acid 2,4-di-tert-butyl-phenyl ester methyl ester

carbonic acid 2,4-di(tert-butyl)-5-nitrophenyl ester methyl ester
873055-55-1

carbonic acid 2,4-di(tert-butyl)-5-nitrophenyl ester methyl ester

Conditions
ConditionsYield
With aluminum (III) chloride; sodium nitrate In dichloromethane at -21 - -12℃; Temperature; Large scale;83.6%
With sulfuric acid; nitric acid at 0 - 5℃; for 2.5h;40%
Stage #1: carbonic acid 2,4-di-tert-butyl-phenyl ester methyl ester With sulfuric acid In dichloromethane at -5 - 0℃;
Stage #2: With nitric acid In dichloromethane at -5 - 0℃; Product distribution / selectivity;
carbonic acid 2,4-di-tert-butyl-phenyl ester methyl ester
873055-54-0

carbonic acid 2,4-di-tert-butyl-phenyl ester methyl ester

A

carbonic acid 2,4-di(tert-butyl)-5-nitrophenyl ester methyl ester
873055-55-1

carbonic acid 2,4-di(tert-butyl)-5-nitrophenyl ester methyl ester

B

carbonic acid 2,4-di(tert-butyl)-6-nitrophenyl ester methyl ester
873055-56-2

carbonic acid 2,4-di(tert-butyl)-6-nitrophenyl ester methyl ester

Conditions
ConditionsYield
With sulfuric acid; nitric acid at 0 - 50℃; for 2h;
With sulfuric acid; nitric acid at 20 - 50℃; Cooling with ice;
With nitric acid In (2S)-N-methyl-1-phenylpropan-2-amine hydrate; sulfuric acid
carbonic acid 2,4-di-tert-butyl-phenyl ester methyl ester

carbonic acid 2,4-di-tert-butyl-phenyl ester methyl ester

A

carbonic acid 2,4-di(tert-butyl)-5-nitrophenyl ester methyl ester
873055-55-1

carbonic acid 2,4-di(tert-butyl)-5-nitrophenyl ester methyl ester

B

carbonic acid 2,4-di(tert-butyl)-6-nitrophenyl ester methyl ester
873055-56-2

carbonic acid 2,4-di(tert-butyl)-6-nitrophenyl ester methyl ester

Conditions
ConditionsYield
With sulfuric acid; nitric acid at 0 - 50℃; for 2h;
2,4-di-tert-Butylphenol
96-76-4

2,4-di-tert-Butylphenol

carbonic acid 2,4-di(tert-butyl)-5-nitrophenyl ester methyl ester
873055-55-1

carbonic acid 2,4-di(tert-butyl)-5-nitrophenyl ester methyl ester

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: triethylamine / diethyl ether / 0 - 20 °C
2: nitric acid; sulfuric acid / 1 h / 0 - 20 °C
View Scheme
Multi-step reaction with 2 steps
1.1: triethylamine / diethyl ether / 2 h / 0 - 20 °C
2.1: sulfuric acid / dichloromethane / 4.5 h / -5 - 0 °C
2.2: -5 - 5 °C
View Scheme
Multi-step reaction with 2 steps
1: triethylamine / diethyl ether / 0 - 20 °C
2: sulfuric acid; nitric acid / 1 h / 0 - 20 °C
View Scheme
carbonic acid 2,4-di-tert-butyl-phenyl ester methyl ester
873055-54-0

carbonic acid 2,4-di-tert-butyl-phenyl ester methyl ester

4-(dicyanomethylene)-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran
96042-30-7

4-(dicyanomethylene)-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran

carbonic acid 2,4-di(tert-butyl)-5-nitrophenyl ester methyl ester
873055-55-1

carbonic acid 2,4-di(tert-butyl)-5-nitrophenyl ester methyl ester

Conditions
ConditionsYield
With sulfuric acid; nitric acid; sodium sulfate In hexane; water
With nitric acid; sodium sulfate
2,4-di-tert-Butylphenol
96-76-4

2,4-di-tert-Butylphenol

A

carbonic acid 2,4-di(tert-butyl)-5-nitrophenyl ester methyl ester
873055-55-1

carbonic acid 2,4-di(tert-butyl)-5-nitrophenyl ester methyl ester

B

carbonic acid 2,4-di(tert-butyl)-6-nitrophenyl ester methyl ester
873055-56-2

carbonic acid 2,4-di(tert-butyl)-6-nitrophenyl ester methyl ester

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: dmap; triethylamine / dichloromethane / 16 h / 0 - 25 °C
2: sulfuric acid; nitric acid / 2 h / 25 °C / Cooling
View Scheme
Multi-step reaction with 2 steps
1: triethylamine / diethyl ether
2: nitric acid / (2S)-N-methyl-1-phenylpropan-2-amine hydrate; sulfuric acid
View Scheme
Multi-step reaction with 2 steps
1: triethylamine; dmap / dichloromethane / 0 - 20 °C
2: nitric acid; sulfuric acid / 2 h / Cooling with ice
View Scheme
2,4-di-tert-Butylphenol
96-76-4

2,4-di-tert-Butylphenol

methyl chloroformate
79-22-1

methyl chloroformate

carbonic acid 2,4-di(tert-butyl)-5-nitrophenyl ester methyl ester
873055-55-1

carbonic acid 2,4-di(tert-butyl)-5-nitrophenyl ester methyl ester

Conditions
ConditionsYield
Stage #1: 2,4-di-tert-Butylphenol; methyl chloroformate With dmap; triethylamine In dichloromethane at 0 - 5℃; for 2h;
Stage #2: With sulfuric acid; nitric acid at 0 - 5℃; for 1.5h;		4.0 g
2,4-di-tert-butyl-5-nitro-phenol
873055-57-3

2,4-di-tert-butyl-5-nitro-phenol

methyl chloroformate
79-22-1

methyl chloroformate

carbonic acid 2,4-di(tert-butyl)-5-nitrophenyl ester methyl ester
873055-55-1

carbonic acid 2,4-di(tert-butyl)-5-nitrophenyl ester methyl ester

Conditions
ConditionsYield
With dmap; triethylamine In dichloromethane at 0 - 30℃;36.6 g
carbonic acid 2,4-di-tert-butyl-phenyl ester methyl ester
873055-54-0

carbonic acid 2,4-di-tert-butyl-phenyl ester methyl ester

A

carbonic acid 2,4-di(tert-butyl)-5-nitrophenyl ester methyl ester
873055-55-1

carbonic acid 2,4-di(tert-butyl)-5-nitrophenyl ester methyl ester

B

carbonic acid 2,4-di(tert-butyl)-6-nitrophenyl ester methyl ester
873055-56-2

carbonic acid 2,4-di(tert-butyl)-6-nitrophenyl ester methyl ester

C

C12H15NO5

C12H15NO5

Conditions
ConditionsYield
With sulfuric acid; nitric acid at -5 - 0℃; for 4h; Reagent/catalyst; Temperature;
...Expand
carbonic acid 2,4-di-tert-butyl-phenyl ester methyl ester
873055-54-0

carbonic acid 2,4-di-tert-butyl-phenyl ester methyl ester

A

carbonic acid 2,4-di(tert-butyl)-5-nitrophenyl ester methyl ester
873055-55-1

carbonic acid 2,4-di(tert-butyl)-5-nitrophenyl ester methyl ester

B

C12H15NO5

C12H15NO5

Conditions
ConditionsYield
With aluminum (III) chloride; chloro-trimethyl-silane; potassium nitrate In dichloromethane at 20℃; Temperature;
carbonic acid 2,4-di(tert-butyl)-5-nitrophenyl ester methyl ester
873055-55-1

carbonic acid 2,4-di(tert-butyl)-5-nitrophenyl ester methyl ester

2,4-di-tert-butyl-5-nitro-phenol
873055-57-3

2,4-di-tert-butyl-5-nitro-phenol

Conditions
ConditionsYield
With sodium hydroxide In methanol; water at 20℃; for 5h;98%
With potassium hydroxide In methanol
Stage #1: carbonic acid 2,4-di(tert-butyl)-5-nitrophenyl ester methyl ester With potassium hydroxide In methanol at 25℃; for 2h;
Stage #2: With hydrogenchloride In methanol; water pH=2 - 3;		1.31 g
carbonic acid 2,4-di(tert-butyl)-5-nitrophenyl ester methyl ester
873055-55-1

carbonic acid 2,4-di(tert-butyl)-5-nitrophenyl ester methyl ester

carbonic acid 2,4-di(tert-butyl)-6-nitrophenyl ester methyl ester
873055-56-2

carbonic acid 2,4-di(tert-butyl)-6-nitrophenyl ester methyl ester

A

2,4-di-tert-butyl-5-nitro-phenol
873055-57-3

2,4-di-tert-butyl-5-nitro-phenol

B

2,4-di-tert-butyl-6-nitrophenol
20039-94-5

2,4-di-tert-butyl-6-nitrophenol

Conditions
ConditionsYield
With hydrogenchloride; KOH In methanolA 29%
B n/a
Stage #1: carbonic acid 2,4-di(tert-butyl)-5-nitrophenyl ester methyl ester; carbonic acid 2,4-di(tert-butyl)-6-nitrophenyl ester methyl ester With potassium hydroxide In methanol at 20℃; for 2h;
Stage #2: With hydrogenchloride In methanol; water pH=2 - 3;
Stage #1: carbonic acid 2,4-di(tert-butyl)-5-nitrophenyl ester methyl ester; carbonic acid 2,4-di(tert-butyl)-6-nitrophenyl ester methyl ester With methanol; potassium hydroxide at 20℃; for 2h;
Stage #2: With hydrogenchloride In water pH=2 - 3;
...Expand
carbonic acid 2,4-di(tert-butyl)-5-nitrophenyl ester methyl ester
873055-55-1

carbonic acid 2,4-di(tert-butyl)-5-nitrophenyl ester methyl ester

5-amino-2,4-di-tert-butylphenyl methyl carbonate
1182822-31-6

5-amino-2,4-di-tert-butylphenyl methyl carbonate

Conditions
ConditionsYield
With palladium 10% on activated carbon; ammonium formate In ethanol for 2h; Reflux;29%
With hydrogen; 5% Pd(II)/C(eggshell) In methanol at 25℃; under 1500.15 Torr; Inert atmosphere;
With hydrogen; 5%-palladium/activated carbon In methanol at 20 - 30℃; under 1500.15 Torr; Inert atmosphere;
carbonic acid 2,4-di(tert-butyl)-5-nitrophenyl ester methyl ester
873055-55-1

carbonic acid 2,4-di(tert-butyl)-5-nitrophenyl ester methyl ester

ivacaftor
873054-44-5

ivacaftor

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: hydrogen / 5%-palladium/activated carbon / methanol / 20 - 30 °C / 1500.15 Torr / Inert atmosphere
2.1: pyridine; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide / 2-methyltetrahydrofuran / 8 h / 47.5 °C
3.1: sodium methylate / 2-methyltetrahydrofuran; methanol / 1 h / 25 °C
3.3: 78 °C
View Scheme
Multi-step reaction with 3 steps
1: hydrogen; 5%-palladium/activated carbon / methanol / 25 °C / 1500.15 Torr / Inert atmosphere
2: pyridine; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide / 2-methyltetrahydrofuran / 8 h / 47.5 °C
3: sodium methylate / methanol; 2-methyltetrahydrofuran / 1 h
View Scheme
Multi-step reaction with 3 steps
1: 5%-palladium/activated carbon; hydrogen / methanol / 25 °C / 1500.15 Torr
2: pyridine; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide / 2-methyltetrahydrofuran / 8 h / 47.5 °C
3: sodium methylate; methanol / 2-methyltetrahydrofuran / 1 h
View Scheme
carbonic acid 2,4-di(tert-butyl)-5-nitrophenyl ester methyl ester
873055-55-1

carbonic acid 2,4-di(tert-butyl)-5-nitrophenyl ester methyl ester

2,4-di-tert-butyl-5-(4-oxo-1,4-dihydroquinoline-3-carboxamido)phenyl methyl carbonate
1246213-45-5

2,4-di-tert-butyl-5-(4-oxo-1,4-dihydroquinoline-3-carboxamido)phenyl methyl carbonate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: hydrogen / 5%-palladium/activated carbon / methanol / 20 - 30 °C / 1500.15 Torr / Inert atmosphere
2: pyridine; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide / 2-methyltetrahydrofuran / 8 h / 47.5 °C
View Scheme
Multi-step reaction with 2 steps
1: hydrogen; 5%-palladium/activated carbon / methanol / 25 °C / 1500.15 Torr / Inert atmosphere
2: pyridine; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide / 2-methyltetrahydrofuran / 8 h / 47.5 °C
View Scheme
Multi-step reaction with 2 steps
1: 5%-palladium/activated carbon; hydrogen / methanol / 25 °C / 1500.15 Torr
2: pyridine; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide / 2-methyltetrahydrofuran / 8 h / 47.5 °C
View Scheme
carbonic acid 2,4-di(tert-butyl)-5-nitrophenyl ester methyl ester
873055-55-1

carbonic acid 2,4-di(tert-butyl)-5-nitrophenyl ester methyl ester

5-amino-2,4-di-tert-butyl-phenol
873055-58-4

5-amino-2,4-di-tert-butyl-phenol

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: hydrogenchloride; KOH / methanol
2: ammonium formate / ethanol
View Scheme
Multi-step reaction with 2 steps
1: potassium hydroxide / methanol
2: palladium 10% on activated carbon; hydrogen / methanol / 2 h / 25 - 30 °C
View Scheme
Multi-step reaction with 2 steps
1.1: potassium hydroxide / methanol / 2 h / 25 °C
1.2: pH 2 - 3
2.1: ammonium formate; 5%-palladium/activated carbon / ethanol / 2 h / Reflux
View Scheme
Multi-step reaction with 2 steps
1.1: methanol; potassium hydroxide / 2 h / 20 °C
1.2: pH 2 - 3
2.1: ammonium formate / 5% palladium over charcoal / ethanol / 2 h / Heating / reflux
View Scheme
carbonic acid 2,4-di(tert-butyl)-5-nitrophenyl ester methyl ester
873055-55-1

carbonic acid 2,4-di(tert-butyl)-5-nitrophenyl ester methyl ester

C27H32N2O5

C27H32N2O5

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: ammonium formate; palladium 10% on activated carbon / ethanol / 2 h / Reflux
2: triethylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 20 °C
View Scheme
carbonic acid 2,4-di(tert-butyl)-5-nitrophenyl ester methyl ester
873055-55-1

carbonic acid 2,4-di(tert-butyl)-5-nitrophenyl ester methyl ester

C28H34N2O5

C28H34N2O5

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: ammonium formate; palladium 10% on activated carbon / ethanol / 2 h / Reflux
2: triethylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 20 °C
View Scheme
carbonic acid 2,4-di(tert-butyl)-5-nitrophenyl ester methyl ester
873055-55-1

carbonic acid 2,4-di(tert-butyl)-5-nitrophenyl ester methyl ester

C27H32N2O6

C27H32N2O6

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: ammonium formate; palladium 10% on activated carbon / ethanol / 2 h / Reflux
2: triethylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 20 °C
View Scheme
carbonic acid 2,4-di(tert-butyl)-5-nitrophenyl ester methyl ester
873055-55-1

carbonic acid 2,4-di(tert-butyl)-5-nitrophenyl ester methyl ester

C26H29FN2O5

C26H29FN2O5

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: ammonium formate; palladium 10% on activated carbon / ethanol / 2 h / Reflux
2: triethylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 20 °C
View Scheme
carbonic acid 2,4-di(tert-butyl)-5-nitrophenyl ester methyl ester
873055-55-1

carbonic acid 2,4-di(tert-butyl)-5-nitrophenyl ester methyl ester

C30H38N2O5

C30H38N2O5

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: ammonium formate; palladium 10% on activated carbon / ethanol / 2 h / Reflux
2: triethylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 20 °C
View Scheme
carbonic acid 2,4-di(tert-butyl)-5-nitrophenyl ester methyl ester
873055-55-1

carbonic acid 2,4-di(tert-butyl)-5-nitrophenyl ester methyl ester

C27H29F3N2O5

C27H29F3N2O5

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: ammonium formate; palladium 10% on activated carbon / ethanol / 2 h / Reflux
2: triethylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 20 °C
View Scheme
carbonic acid 2,4-di(tert-butyl)-5-nitrophenyl ester methyl ester
873055-55-1

carbonic acid 2,4-di(tert-butyl)-5-nitrophenyl ester methyl ester

N-(2,4-di-tert-butyl-5-hydroxyphenyl)-6-methyl-4-oxo-1,4-dihydroquinoline-3-carboxamide
1236060-10-8

N-(2,4-di-tert-butyl-5-hydroxyphenyl)-6-methyl-4-oxo-1,4-dihydroquinoline-3-carboxamide

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: ammonium formate; palladium 10% on activated carbon / ethanol / 2 h / Reflux
2: triethylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 20 °C
3: potassium hydroxide / methanol / 2 h / 20 °C
View Scheme
carbonic acid 2,4-di(tert-butyl)-5-nitrophenyl ester methyl ester
873055-55-1

carbonic acid 2,4-di(tert-butyl)-5-nitrophenyl ester methyl ester

N-(2,4-di-tert-butyl-5-hydroxyphenyl)-6-ethyl-4-oxo-1,4-dihydroquinoline-3-carboxamide

N-(2,4-di-tert-butyl-5-hydroxyphenyl)-6-ethyl-4-oxo-1,4-dihydroquinoline-3-carboxamide

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: ammonium formate; palladium 10% on activated carbon / ethanol / 2 h / Reflux
2: triethylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 20 °C
3: potassium hydroxide / methanol / 2 h / 20 °C
View Scheme
carbonic acid 2,4-di(tert-butyl)-5-nitrophenyl ester methyl ester
873055-55-1

carbonic acid 2,4-di(tert-butyl)-5-nitrophenyl ester methyl ester

N-(2,4-di-tert-butyl-5-hydroxyphenyl)-6-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxamide
1236058-06-2

N-(2,4-di-tert-butyl-5-hydroxyphenyl)-6-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxamide

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: ammonium formate; palladium 10% on activated carbon / ethanol / 2 h / Reflux
2: triethylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 20 °C
3: potassium hydroxide / methanol / 2 h / 20 °C
View Scheme
carbonic acid 2,4-di(tert-butyl)-5-nitrophenyl ester methyl ester
873055-55-1

carbonic acid 2,4-di(tert-butyl)-5-nitrophenyl ester methyl ester

N-(2,4-di-tert-butyl-5-hydroxyphenyl)-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxamide
873051-19-5

N-(2,4-di-tert-butyl-5-hydroxyphenyl)-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxamide

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: ammonium formate; palladium 10% on activated carbon / ethanol / 2 h / Reflux
2: triethylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 20 °C
3: potassium hydroxide / methanol / 2 h / 20 °C
View Scheme
carbonic acid 2,4-di(tert-butyl)-5-nitrophenyl ester methyl ester
873055-55-1

carbonic acid 2,4-di(tert-butyl)-5-nitrophenyl ester methyl ester

6-(tert-butyl)-N-(2,4-di-tert-butyl-5-hydroxyphenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide

6-(tert-butyl)-N-(2,4-di-tert-butyl-5-hydroxyphenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: ammonium formate; palladium 10% on activated carbon / ethanol / 2 h / Reflux
2: triethylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 20 °C
3: potassium hydroxide / methanol / 2 h / 20 °C
View Scheme
carbonic acid 2,4-di(tert-butyl)-5-nitrophenyl ester methyl ester
873055-55-1

carbonic acid 2,4-di(tert-butyl)-5-nitrophenyl ester methyl ester

N-(2,4-di-tert-butyl-5-hydroxyphenyl)-4-oxo-6-(trifluoromethyl)-1,4-dihydroquinoline-3-carboxamide
1236058-25-5

N-(2,4-di-tert-butyl-5-hydroxyphenyl)-4-oxo-6-(trifluoromethyl)-1,4-dihydroquinoline-3-carboxamide

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: ammonium formate; palladium 10% on activated carbon / ethanol / 2 h / Reflux
2: triethylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 20 °C
3: potassium hydroxide / methanol / 2 h / 20 °C
View Scheme
carbonic acid 2,4-di(tert-butyl)-5-nitrophenyl ester methyl ester
873055-55-1

carbonic acid 2,4-di(tert-butyl)-5-nitrophenyl ester methyl ester

2,4-di-tert-butyl-5-(3-(2-fluorophenyl)-3-oxopropanamido)phenyl methyl carbonate

2,4-di-tert-butyl-5-(3-(2-fluorophenyl)-3-oxopropanamido)phenyl methyl carbonate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: iron; ammonium chloride / ethanol / 3 h / Reflux
2: ethyl acetate / 6 h / 25 - 60 °C
View Scheme
carbonic acid 2,4-di(tert-butyl)-5-nitrophenyl ester methyl ester
873055-55-1

carbonic acid 2,4-di(tert-butyl)-5-nitrophenyl ester methyl ester

2,4-di-tert-butyl-5-(3-ethoxy-2-(2-fluorobenzoyl)acrylamido)phenyl methyl carbonate

2,4-di-tert-butyl-5-(3-ethoxy-2-(2-fluorobenzoyl)acrylamido)phenyl methyl carbonate

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: iron; ammonium chloride / ethanol / 3 h / Reflux
2: pyridine / dichloromethane / 0 - 35 °C
3: triethylamine / toluene / 5 h / 25 - 55 °C
View Scheme
Multi-step reaction with 3 steps
1: iron; ammonium chloride / ethanol / 3 h / Reflux
2: ethyl acetate / 6 h / 25 - 60 °C
3: acetic anhydride; zinc(II) chloride / 6 h / 25 - 35 °C
View Scheme
carbonic acid 2,4-di(tert-butyl)-5-nitrophenyl ester methyl ester
873055-55-1

carbonic acid 2,4-di(tert-butyl)-5-nitrophenyl ester methyl ester

5-([(E)-3-ethoxyprop-2-enoyl]amino)-2,4-di-tert-butylphenyl methyl carbonate

5-([(E)-3-ethoxyprop-2-enoyl]amino)-2,4-di-tert-butylphenyl methyl carbonate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: iron; ammonium chloride / ethanol / 3 h / Reflux
2: pyridine / dichloromethane / 0 - 35 °C
View Scheme

2,4-Di-tert-butyl-5-nitrophenyl methyl carbonate Specification

This product is an organic compound with the formula C16H23NO5. The systematic name of this chemical is 2,4-Di-tert-butyl-5-nitrophenyl methyl carbonate. With the CAS registry number 873055-55-1, it is also named as Carbonic acid 2,4-bis(1,1-dimethylethyl)-5-nitrophenyl methyl ester. In addition, the molecular weight is 309.36.

Physical properties of 2,4-Di-tert-butyl-5-nitrophenyl methyl carbonate are: (1)ACD/LogP: 4.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.679; (4)ACD/LogD (pH 7.4): 4.679; (5)ACD/BCF (pH 5.5): 2118.147; (6)ACD/BCF (pH 7.4): 2118.147; (7)ACD/KOC (pH 5.5): 8362.114; (8)ACD/KOC (pH 7.4): 8362.114; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 81.35 Å2; (13)Index of Refraction: 1.505; (14)Molar Refractivity: 82.659 cm3; (15)Molar Volume: 278.641 cm3; (16)Polarizability: 32.769×10-24cm3; (17)Surface Tension: 35.474 dyne/cm; (18)Density: 1.11 g/cm3; (19)Flash Point: 134.684 °C; (20)Enthalpy of Vaporization: 63.203 kJ/mol; (21)Boiling Point: 383.484 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)c1cc(c(cc1[N+](=O)[O-])OC(=O)OC)C(C)(C)C
(2)Std. InChI: InChI=1S/C16H23NO5/c1-15(2,3)10-8-11(16(4,5)6)13(22-14(18)21-7)9-12(10)17(19)20/h8-9H,1-7H3
(3)Std. InChIKey: QBDLLAFFRJOLHZ-UHFFFAOYSA-N

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