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194995-47-6

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Basic Information
CAS No.: 194995-47-6
Name: Propanoic acid, 2-methyl-, 1-[[(4-nitrophenoxy)carbonyl]oxy]ethyl ester
Article Data: 5
Molecular Structure:
Molecular Structure of 194995-47-6 (Propanoic acid, 2-methyl-, 1-[[(4-nitrophenoxy)carbonyl]oxy]ethyl ester)
Formula: C13H15NO7
Molecular Weight: 297.265
Synonyms: 1-isobutanoyloxyethyl p-nitrophenyl carbonate;
Density: 1.281±0.06 g/cm3(Predicted)
Boiling Point: 412.3±45.0 °C(Predicted)
PSA: 107.65000
LogP: 3.17860
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Synthetic route
101623-69-2

(1-chloroethyl)-(4-nitrophenyl)carbonate

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mercuric dimethyl acetate

194995-47-6

1-[[(4-nitrophenoxy)carbonyl]oxy]-2-methylpropionic acid ethyl ester

Conditions
ConditionsYield
With acetic acid Heating;85%
In dichloromethane at 45℃; for 24h;52%
79-31-2

isobutyric Acid

101623-69-2

(1-chloroethyl)-(4-nitrophenyl)carbonate

194995-47-6

1-[[(4-nitrophenoxy)carbonyl]oxy]-2-methylpropionic acid ethyl ester

Conditions
ConditionsYield
Stage #1: isobutyric Acid With zinc(II) oxide In toluene at 105℃; for 1h;
Stage #2: (1-chloroethyl)-(4-nitrophenyl)carbonate; sodium iodide In toluene at 60℃; for 24h; Product distribution / selectivity;		75%
With sodium iodide; zinc(II) oxide at 60 - 70℃; for 24h;40 mg
100-02-7

4-nitro-phenol

50893-53-3

carbonochloridic acid 1-chloro-ethyl ester

79-31-2

isobutyric Acid

194995-47-6

1-[[(4-nitrophenoxy)carbonyl]oxy]-2-methylpropionic acid ethyl ester

Conditions
ConditionsYield
Stage #1: 4-nitro-phenol; carbonochloridic acid 1-chloro-ethyl ester With tributyl-amine In toluene at 20℃;
Stage #2: isobutyric Acid With zinc(II) oxide; sodium iodide In toluene at 75℃; for 10h; Product distribution / selectivity;		60%
...Expand
100-02-7

4-nitro-phenol

thiophosphoric acid-chloride O,O'-diisobutyl ester

thiophosphoric acid-chloride O,O'-diisobutyl ester

194995-47-6

1-[[(4-nitrophenoxy)carbonyl]oxy]-2-methylpropionic acid ethyl ester

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 90 percent / TEA / Ambient temperature
2: 85 percent / MeCO2H / Heating
View Scheme
100-02-7

4-nitro-phenol

194995-47-6

1-[[(4-nitrophenoxy)carbonyl]oxy]-2-methylpropionic acid ethyl ester

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: pyridine / dichloromethane / 0.17 h / 0 - 4 °C
1.2: 20 °C
2.1: zinc(II) oxide; sodium iodide / 24 h / 60 - 70 °C
View Scheme
60142-96-3

H-Gpn-OH

194995-47-6

1-[[(4-nitrophenoxy)carbonyl]oxy]-2-methylpropionic acid ethyl ester

478296-72-9

gabapentin enacarbil

Conditions
ConditionsYield
With chloro-trimethyl-silane; tributyl-amine In toluene at 20℃; for 24h; Product distribution / selectivity;100%
920-66-1

1,1,1,3',3',3'-hexafluoro-propanol

194995-47-6

1-[[(4-nitrophenoxy)carbonyl]oxy]-2-methylpropionic acid ethyl ester

1-{[(1,1,1,3,3,3-hexafluoro-2-propoxy)carbonyl]oxy}ethyl isobutyrate

Conditions
ConditionsYield
With triethylamine In acetonitrile at 0 - 5℃; for 4h;88.2%

(7S)-4,7,8-trimethyl-2-[[1-[[6-(trifluoromethyl)-3-pyridyl]methyl]pyrazol-4-yl]methylamino]-5,7-dihydropteridin-6-one

194995-47-6

1-[[(4-nitrophenoxy)carbonyl]oxy]-2-methylpropionic acid ethyl ester

1-((((1-((6-(trifluoromethyl)pyridin-3-yl)methyl)-1H-pyrazol-4-yl)methyl)((7S)-4,7,8-trimethyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl)carbamoyl)oxy)ethyl isobutyrate

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 100℃; for 24h; Sealed tube;85.16%
194995-47-6

1-[[(4-nitrophenoxy)carbonyl]oxy]-2-methylpropionic acid ethyl ester

C17H22ClNO6

Conditions
ConditionsYield
Stage #1: (R)-(-)-baclofen hydrochloride With chloro-trimethyl-silane; triethylamine In dichloromethane at 0℃; for 0.166667h;
Stage #2: 1-{[(4-nitrophenoxy)carbonyl]oxy}ethyl 2-methylpropanoate In dichloromethane at 20℃; for 3h;		73%

methyl (2S,4S)-4-(3-((4-(dimethylamino)-4-phenylcyclohexyl)methyl)phenoxy)pyrrolidine-2-carboxylate

194995-47-6

1-[[(4-nitrophenoxy)carbonyl]oxy]-2-methylpropionic acid ethyl ester

1-(1-(isobutyryloxy)ethyl) 2-methyl (2S,4S)-4-(3-((4-(dimethylamino)-4-phenylcyclohexyl)methyl)phenoxy)pyrrolidine-1,2-dicarboxylate

Conditions
ConditionsYield
With triethylamine In dichloromethane at 20℃;67%
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