Product Name

  • Name

    2-Nitroacetophenone

  • EINECS 209-414-8
  • CAS No. 577-59-3
  • Article Data106
  • CAS DataBase
  • Density 1.243 g/cm3
  • Solubility Insoluble in water
  • Melting Point 76-78 °C(lit.)
  • Formula C8H7NO3
  • Boiling Point 286.4 °C at 760 mmHg
  • Molecular Weight 165.148
  • Flash Point 137.8 °C
  • Transport Information
  • Appearance yellow-green liquid or crystal
  • Safety 22-24/25
  • Risk Codes 22
  • Molecular Structure Molecular Structure of 577-59-3 (2-Nitroacetophenone)
  • Hazard Symbols HarmfulXn
  • Synonyms Acetophenone,2'-nitro- (8CI);1-(2-Nitrophenyl)-ethanone;1-Acetyl-2-nitrobenzene;2-Acetylnitrobenzene;Methyl 2-nitrophenyl ketone;Methyl-o-nitrophenylketone;NSC 3641;o-Nitroacetophenone;
  • PSA 62.89000
  • LogP 2.32060

Synthetic route

C11H17NO3Si
1352706-75-2

C11H17NO3Si

2-acetylnitrobenzene
577-59-3

2-acetylnitrobenzene

Conditions
ConditionsYield
With nitrogen dioxide at 20℃; for 1h;100%
acetophenone
98-86-2

acetophenone

2-acetylnitrobenzene
577-59-3

2-acetylnitrobenzene

Conditions
ConditionsYield
With calcium silicate; sulfuric acid; nitric acid at -15℃;97%
With sulfuric acid; nitric acid at -15℃;80%
With nitric acid
Multi-step reaction with 3 steps
1: pyridine / methanol / Reflux
2: silver(I) nitrite; dipotassium peroxodisulfate; palladium diacetate / 1,2-dichloro-ethane / 48 h / 130 °C / sealed tube
3: hydrogenchloride; water / diethyl ether / 24 h / 20 °C
View Scheme
2-nitro(ethylbenzene)
612-22-6

2-nitro(ethylbenzene)

2-acetylnitrobenzene
577-59-3

2-acetylnitrobenzene

Conditions
ConditionsYield
With potassium permanganate; sulfuric acid; acetic acid In water at 30 - 50℃; for 8h; Temperature; Reagent/catalyst; Cooling; Large scale;96%
With nickel-doped graphene carbon nitride nanoparticles; air In ethanol at 25℃; for 8h; Irradiation; Green chemistry;93%
With oxygen In water for 4h; Reflux;87%
1-(2-nitrophenyl)ethan-1-ol
80379-10-8, 108530-03-6, 142631-59-2, 3205-25-2

1-(2-nitrophenyl)ethan-1-ol

2-acetylnitrobenzene
577-59-3

2-acetylnitrobenzene

Conditions
ConditionsYield
With 2,2,6,6-tetramethyl-piperidine-N-oxyl; iron(III) chloride In water; ethyl acetate at 20℃; for 10h;96%
With Montmorillonite K10; ferric nitrate In hexane at 60℃; for 7h;93%
With caesium carbonate In toluene at 110℃; for 18h;83%
2-ethynyl-1-nitrobenzene
16433-96-8

2-ethynyl-1-nitrobenzene

2-acetylnitrobenzene
577-59-3

2-acetylnitrobenzene

Conditions
ConditionsYield
With C22H20AuN3O2P(1+)*CF3O3S(1-); water; silver trifluoromethanesulfonate; acetic acid at 100℃; for 10h;94%
With potassium tetrachloroaurate(III); (S)-2-(2-(1H-benzo[d][1,2,3]triazol-1-yl)acetamido)propanoic acid; water; silver trifluoromethanesulfonate; acetic acid Schlenk technique; Inert atmosphere;88%
With methanol; [Co((dimethylglyoximate)BF2)2•2H2O] at 65℃; for 60h; Sealed tube; Neutral conditions; regioselective reaction;60%
carbon monoxide
201230-82-2

carbon monoxide

tetramethylstannane
594-27-4

tetramethylstannane

2-nitrobenzenediazonium tetrafluoroborate
365-33-3

2-nitrobenzenediazonium tetrafluoroborate

2-acetylnitrobenzene
577-59-3

2-acetylnitrobenzene

Conditions
ConditionsYield
With palladium diacetate In acetonitrile for 0.5h; Ambient temperature;93%
...Expand
trimethylsiloxyethene
6213-94-1

trimethylsiloxyethene

o-nitroiodobenzene
609-73-4

o-nitroiodobenzene

2-acetylnitrobenzene
577-59-3

2-acetylnitrobenzene

Conditions
ConditionsYield
With palladium diacetate; triethylamine; triphenylphosphine In dimethyl sulfoxide; N,N-dimethyl-formamide at 20 - 100℃; for 2h; Heck Reaction; Microwave irradiation; regioselective reaction;91%
2,2-Dimethyl-5-(2-nitro-benzoyl)-[1,3]dioxane-4,6-dione

2,2-Dimethyl-5-(2-nitro-benzoyl)-[1,3]dioxane-4,6-dione

2-acetylnitrobenzene
577-59-3

2-acetylnitrobenzene

Conditions
ConditionsYield
With hydrogenchloride; water for 0.0833333h; microwave irradiation;90%
With hydrogenchloride for 4h; Heating; Yield given;
2-Nitrobenzoylessigsaeure

2-Nitrobenzoylessigsaeure

A

2-acetylnitrobenzene
577-59-3

2-acetylnitrobenzene

B

2-Nitrobenzoylessigsaeureethylester

2-Nitrobenzoylessigsaeureethylester

Conditions
ConditionsYield
With hydrogenchloride In ethanol at 20℃;A 8%
B 87%
ethylbenzene
100-41-4

ethylbenzene

2-acetylnitrobenzene
577-59-3

2-acetylnitrobenzene

Conditions
ConditionsYield
With cobalt(II) stearate; sodium carbonate; sodium hydroxide at 140 - 165℃; under 6000.6 Torr; for 19.5h; pH=7 - 8.5; Pressure; Temperature;85.5%
1-(2-nitro-phenyl)-ethanone oxime
10342-62-8

1-(2-nitro-phenyl)-ethanone oxime

2-acetylnitrobenzene
577-59-3

2-acetylnitrobenzene

Conditions
ConditionsYield
With perchloric acid; dihydrogen peroxide; potassium bromide; ammonium molybdate tetrahydrate In water at 20℃; for 3h;85%
With sulfuric acid
(E)-1-(2-nitrophenyl)ethanone O-methyl oxime
1262802-04-9

(E)-1-(2-nitrophenyl)ethanone O-methyl oxime

2-acetylnitrobenzene
577-59-3

2-acetylnitrobenzene

Conditions
ConditionsYield
With hydrogenchloride; water In dichloromethane at 100℃; for 24h; Sealed tube;85%
With hydrogenchloride; water In diethyl ether at 20℃; for 24h;84%
C18H23NO7

C18H23NO7

2-acetylnitrobenzene
577-59-3

2-acetylnitrobenzene

Conditions
ConditionsYield
With sulfuric acid; acetic acid In water Reflux;80.5%
acetophenone
98-86-2

acetophenone

A

2-acetylnitrobenzene
577-59-3

2-acetylnitrobenzene

B

3-Nitroacetophenone
121-89-1

3-Nitroacetophenone

Conditions
ConditionsYield
With trifluoromethylsulfonic anhydride; ethylammonium nitrate at 0 - 20℃; for 2h; Inert atmosphere;A n/a
B 77%
With aluminium trinitrate; acetic anhydride; scandium tris(trifluoromethanesulfonate) In acetonitrile at 20℃; for 24h;A 6%
B 12%
With Nitrogen dioxide; ozone In dichloromethane at -10℃; Mechanism; Product distribution; var. time; other ketones and benzaldehyde;
2-nitrobenzenesulfonyl hydrazide
5906-99-0

2-nitrobenzenesulfonyl hydrazide

acetonitrile
75-05-8

acetonitrile

2-acetylnitrobenzene
577-59-3

2-acetylnitrobenzene

Conditions
ConditionsYield
With 1,10-Phenanthroline; water; palladium diacetate at 100℃; under 760.051 Torr; for 6h;74%
o-nitroiodobenzene
609-73-4

o-nitroiodobenzene

triethylamine
121-44-8

triethylamine

2-acetylnitrobenzene
577-59-3

2-acetylnitrobenzene

Conditions
ConditionsYield
With water; oxygen; zinc(II) oxide In acetonitrile at 20℃; Irradiation;64%
diazomethane
186581-53-3, 908094-01-9

diazomethane

2-nitro-benzaldehyde
552-89-6

2-nitro-benzaldehyde

A

2-acetylnitrobenzene
577-59-3

2-acetylnitrobenzene

B

(+/-)-2-(2-nitrophenyl)oxirane
39830-70-1

(+/-)-2-(2-nitrophenyl)oxirane

Conditions
ConditionsYield
In diethyl ether 1.) 0 deg C 1 h: 2.) 3 h room temperature;A 14%
B 61%
...Expand
Z-2-<1-Hydroxy-1-(2-nitrophenyl)methylen>acetessigsaeureethylester
104765-26-6

Z-2-<1-Hydroxy-1-(2-nitrophenyl)methylen>acetessigsaeureethylester

A

2-acetylnitrobenzene
577-59-3

2-acetylnitrobenzene

B

4-hydroxy-4-(2-nitrophenyl)but-3-en-2-one
60143-82-0

4-hydroxy-4-(2-nitrophenyl)but-3-en-2-one

Conditions
ConditionsYield
With sulfuric acid In water for 5h; Heating;A 61%
B 25%
2-nitro-benzaldehyde
552-89-6

2-nitro-benzaldehyde

diazomethyl-trimethyl-silane
18107-18-1

diazomethyl-trimethyl-silane

A

2-acetylnitrobenzene
577-59-3

2-acetylnitrobenzene

B

(+/-)-2-(2-nitrophenyl)oxirane
39830-70-1

(+/-)-2-(2-nitrophenyl)oxirane

Trimethyl-[(2R,3R)-3-(2-nitro-phenyl)-oxiranyl]-silane

Trimethyl-[(2R,3R)-3-(2-nitro-phenyl)-oxiranyl]-silane

Conditions
ConditionsYield
With triethylamine In methanol; diethyl ether for 26h; Ambient temperature;A 8%
B 52%
C 14%
...Expand
C11H13NO2S2

C11H13NO2S2

2-acetylnitrobenzene
577-59-3

2-acetylnitrobenzene

Conditions
ConditionsYield
With water In 1,4-dioxane at 110℃; for 2h; Inert atmosphere; Microwave irradiation;52%
2-nitrophenyl bromide
577-19-5

2-nitrophenyl bromide

triethylamine
121-44-8

triethylamine

2-acetylnitrobenzene
577-59-3

2-acetylnitrobenzene

Conditions
ConditionsYield
With water; oxygen; zinc(II) oxide In acetonitrile at 20℃; Irradiation;49%
2-aminoacetophenone
551-93-9

2-aminoacetophenone

2-acetylnitrobenzene
577-59-3

2-acetylnitrobenzene

Conditions
ConditionsYield
With 3-chloro-benzenecarboperoxoic acid In chloroform for 2h; Reflux;43%
diazomethane
186581-53-3, 908094-01-9

diazomethane

2-nitro-benzaldehyde
552-89-6

2-nitro-benzaldehyde

2-acetylnitrobenzene
577-59-3

2-acetylnitrobenzene

Conditions
ConditionsYield
With diethyl ether at -10℃;
Acetaldehyde oxime
107-29-9

Acetaldehyde oxime

2-Nitrophenyldiazonium
25910-37-6

2-Nitrophenyldiazonium

2-acetylnitrobenzene
577-59-3

2-acetylnitrobenzene

Conditions
ConditionsYield
With sodium acetate; copper(II) sulfate; sodium sulfite in wss. Loesung und anschl. mit wss. HCl;
o-nitrocumene
6526-72-3

o-nitrocumene

2-acetylnitrobenzene
577-59-3

2-acetylnitrobenzene

Conditions
ConditionsYield
Erhitzen mit Luft;
ethyl (2-nitrobenzoyl)acetate
52119-39-8

ethyl (2-nitrobenzoyl)acetate

2-acetylnitrobenzene
577-59-3

2-acetylnitrobenzene

Conditions
ConditionsYield
With sulfuric acid; water
2-Nitrobenzoylessigsaeure
22751-16-2

2-Nitrobenzoylessigsaeure

2-acetylnitrobenzene
577-59-3

2-acetylnitrobenzene

Conditions
ConditionsYield
durch Vakuumdestillation;
2-Nitrobenzoylessigsaeure
22751-16-2

2-Nitrobenzoylessigsaeure

A

2-acetylnitrobenzene
577-59-3

2-acetylnitrobenzene

B

methylammonium carbonate
15719-64-9, 15719-76-3, 97762-63-5

methylammonium carbonate

Conditions
ConditionsYield
bei der Destillation im Vakuum;
diethyl 2-(2-nitro-benzoyl)malonate
106718-56-3

diethyl 2-(2-nitro-benzoyl)malonate

2-acetylnitrobenzene
577-59-3

2-acetylnitrobenzene

Conditions
ConditionsYield
With sulfuric acid; acetic acid
2-acetylnitrobenzene
577-59-3

2-acetylnitrobenzene

1-(2-nitrophenyl)ethan-1-ol
80379-10-8, 108530-03-6, 142631-59-2, 3205-25-2

1-(2-nitrophenyl)ethan-1-ol

Conditions
ConditionsYield
With methanol; sodium tetrahydroborate In 1,4-dioxane at 20℃; for 0.5h;100%
With C40H37ClN2PRuS(1+)*C24H20B(1-); isopropyl alcohol; potassium hydroxide at 82℃; for 2h; Catalytic behavior;100%
With sodium tetrahydroborate In 1,4-dioxane; methanol at 0 - 20℃; for 1h;99%
2-acetylnitrobenzene
577-59-3

2-acetylnitrobenzene

N,N-dimethyl-formamide dimethyl acetal
4637-24-5

N,N-dimethyl-formamide dimethyl acetal

3-(dimethylamino)-1-(2-nitrophenyl)prop-2-en-1-one
87488-61-7

3-(dimethylamino)-1-(2-nitrophenyl)prop-2-en-1-one

Conditions
ConditionsYield
In N,N-dimethyl-formamide at 100 - 110℃; for 2h;100%
In N,N-dimethyl-formamide at 100℃; for 0.833333h;95%
In N,N-dimethyl-formamide at 100℃; for 2h; Inert atmosphere;90%
2-acetylnitrobenzene
577-59-3

2-acetylnitrobenzene

oxalic acid diethyl ester
95-92-1

oxalic acid diethyl ester

4-(2-nitrophenyl)-2,4-dioxobutanoic acid ethyl ester
178114-28-8

4-(2-nitrophenyl)-2,4-dioxobutanoic acid ethyl ester

Conditions
ConditionsYield
With sodium ethanolate In tetrahydrofuran at 0℃; for 2h;99%
Stage #1: oxalic acid diethyl ester With sodium methylate In diethyl ether at 20℃; Inert atmosphere;
Stage #2: 2-acetylnitrobenzene In diethyl ether at 20℃; for 12h;		86%
With sodium ethanolate In tetrahydrofuran at 0℃; for 2h; Inert atmosphere;78%
2-acetylnitrobenzene
577-59-3

2-acetylnitrobenzene

(S)-1-(2-nitrophenyl)ethanol
3205-25-2, 108530-03-6, 142631-59-2, 80379-10-8

(S)-1-(2-nitrophenyl)ethanol

Conditions
ConditionsYield
With D-glucose In aq. phosphate buffer at 25℃; for 24h; pH=7.0; stereoselective reaction;99%
With Debaryomyces hansenii P1 at 30℃; for 48h; pH=5.5; Microbiological reaction; enantioselective reaction;87%
With (3aR)-1-methyl-3,3-diphenyl-tetrahydro-pyrrolo[1,2-c][1,3,2]oxazaborole; benzo[1,3,2]dioxaborole In dichloromethane at -78℃; for 24h; Inert atmosphere;74%
2-acetylnitrobenzene
577-59-3

2-acetylnitrobenzene

benzaldehyde
100-52-7

benzaldehyde

4-methyl-2-phenylquinazoline
1806-66-2

4-methyl-2-phenylquinazoline

Conditions
ConditionsYield
With ammonium formate In 1,4-dioxane; water at 60℃; for 6h; Catalytic behavior; Temperature; Time; Reagent/catalyst; Sealed tube; Green chemistry;99%
Stage #1: 2-acetylnitrobenzene; benzaldehyde In water at 60℃; for 0.0833333h;
Stage #2: With borane-ammonia complex In water at 60℃; for 8h; Catalytic behavior; Temperature; Time; Reagent/catalyst;		99%
2-acetylnitrobenzene
577-59-3

2-acetylnitrobenzene

4-cyanobenzaldehyde
105-07-7

4-cyanobenzaldehyde

4-(4-methylquinazolin-2-yl)benzonitrile

4-(4-methylquinazolin-2-yl)benzonitrile

Conditions
ConditionsYield
With ammonium formate In 1,4-dioxane; water at 60℃; for 6h; Sealed tube; Green chemistry;99%
Stage #1: 2-acetylnitrobenzene; 4-cyanobenzaldehyde In water at 60℃; for 0.0833333h;
Stage #2: With borane-ammonia complex In water at 60℃; for 8h;		97%
2-acetylnitrobenzene
577-59-3

2-acetylnitrobenzene

diethyl cyanophosphonate
2942-58-7

diethyl cyanophosphonate

lithium cyanide
2408-36-8

lithium cyanide

1-cyano-1-(2-nitrophenyl)ethyl diethylphosphate

1-cyano-1-(2-nitrophenyl)ethyl diethylphosphate

Conditions
ConditionsYield
In tetrahydrofuran at 20℃; for 0.0833333h;99%
...Expand
2-acetylnitrobenzene
577-59-3

2-acetylnitrobenzene

2-aminoacetophenone
551-93-9

2-aminoacetophenone

Conditions
ConditionsYield
With potassium hydroxide In isopropyl alcohol at 100℃; Microwave irradiation;98%
With formic acid; dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; triethylamine; potassium iodide In dimethyl sulfoxide at 100℃; for 20h; Inert atmosphere; chemoselective reaction;97%
With 1-methylcyclohex-1-ene; palladium on activated charcoal In methanol at 80℃; for 0.166667h; microwave irradiation;95%
2-acetylnitrobenzene
577-59-3

2-acetylnitrobenzene

4-chlorobenzaldehyde
104-88-1

4-chlorobenzaldehyde

trans-3-(4-chlorophenyl)-1-(2-nitrophenyl)prop-2-en-1-one
69511-65-5

trans-3-(4-chlorophenyl)-1-(2-nitrophenyl)prop-2-en-1-one

Conditions
ConditionsYield
With acetic acid In ethanol Aldol Condensation;98%
With sodium hydroxide In ethanol; water at 20℃; for 12h;98%
With potassium hydroxide In methanol; water91%
2-acetylnitrobenzene
577-59-3

2-acetylnitrobenzene

4-methyl-benzaldehyde
104-87-0

4-methyl-benzaldehyde

(2E)-3-(4-methylphenyl)-1-(2-nitrophenyl)-2-propen-1-one
244610-62-6

(2E)-3-(4-methylphenyl)-1-(2-nitrophenyl)-2-propen-1-one

Conditions
ConditionsYield
With sodium hydroxide In ethanol at 0℃; for 3h; Aldol condensation; Inert atmosphere;97%
With acetic acid In ethanol Aldol Condensation;97%
With sodium hydroxide In ethanol; water at 20℃; for 12h;97%
With potassium hydroxide In methanol; water93%
With magnesium oxide In o-xylene at 90℃; for 8h; Claisen-Schmidt Condensation; Inert atmosphere;80 %Chromat.
2-acetylnitrobenzene
577-59-3

2-acetylnitrobenzene

benzaldehyde
100-52-7

benzaldehyde

aniline
62-53-3

aniline

1-(2-nitrophenyl)-3-phenyl-3-(phenylamino)propan-1-one

1-(2-nitrophenyl)-3-phenyl-3-(phenylamino)propan-1-one

Conditions
ConditionsYield
With C11H18N3O2(1+)*C2F3O2(1-) In neat (no solvent) at 20℃; for 2h; Mannich Aminomethylation;97%
With graphene oxide In ethanol at 20℃; for 5h; Mannich Aminomethylation; Green chemistry;90%
...Expand
2-acetylnitrobenzene
577-59-3

2-acetylnitrobenzene

2-Chloroanisole
766-51-8

2-Chloroanisole

C15H13NO4

C15H13NO4

Conditions
ConditionsYield
With C34H36ClN3Pd; sodium t-butanolate In 1,4-dioxane at 100℃; for 4h; Reagent/catalyst;97%
2-acetylnitrobenzene
577-59-3

2-acetylnitrobenzene

1-chloro-3-methoxy-benzene
2845-89-8

1-chloro-3-methoxy-benzene

C15H13NO4

C15H13NO4

Conditions
ConditionsYield
With C48H64ClN3Pd; sodium t-butanolate In 1,4-dioxane at 100℃; for 4h; Reagent/catalyst;97%
2-acetylnitrobenzene
577-59-3

2-acetylnitrobenzene

benzaldehyde
100-52-7

benzaldehyde

2'-nitro-chalcone
16619-38-8

2'-nitro-chalcone

Conditions
ConditionsYield
With sodium hydroxide In ethanol at 0℃; for 3h;96%
With sodium methylate In ethanol for 3h; Ambient temperature;88%
With sodium hydroxide; ethanol
2-acetylnitrobenzene
577-59-3

2-acetylnitrobenzene

benzaldehyde
100-52-7

benzaldehyde

(2E)-1-(2-nitrophenyl)-3-phenyl-2-propen-1-one
53744-32-4

(2E)-1-(2-nitrophenyl)-3-phenyl-2-propen-1-one

Conditions
ConditionsYield
With acetic acid In ethanol Aldol Condensation;96%
With sodium hydroxide In ethanol at 0℃; for 3h; Aldol condensation; Inert atmosphere;95%
Stage #1: 2-acetylnitrobenzene With potassium hydroxide In ethanol; water at 0 - 20℃; for 0.5h;
Stage #2: benzaldehyde In ethanol; water at 20℃; for 3h;		83%
2-acetylnitrobenzene
577-59-3

2-acetylnitrobenzene

2-phenyl-1H-indol-3-carboxaldehyde
25365-71-3

2-phenyl-1H-indol-3-carboxaldehyde

(E)-1-(2-Nitro-phenyl)-3-(2-phenyl-1H-indol-3-yl)-propenone
151390-85-1

(E)-1-(2-Nitro-phenyl)-3-(2-phenyl-1H-indol-3-yl)-propenone

Conditions
ConditionsYield
With piperidine In ethanol for 2h; Heating;96%
2-acetylnitrobenzene
577-59-3

2-acetylnitrobenzene

4-methyl-benzaldehyde
104-87-0

4-methyl-benzaldehyde

4-methyl-2-(4-methylphenyl)quinazoline
1400697-35-9

4-methyl-2-(4-methylphenyl)quinazoline

Conditions
ConditionsYield
With ammonium formate In 1,4-dioxane; water at 60℃; for 6h; Sealed tube; Green chemistry;96%
Stage #1: 2-acetylnitrobenzene; 4-methyl-benzaldehyde In water at 60℃; for 0.0833333h;
Stage #2: With borane-ammonia complex In water at 60℃; for 8h;		95%
2-acetylnitrobenzene
577-59-3

2-acetylnitrobenzene

1-(2-aminophenyl)ethanol
941706-81-6

1-(2-aminophenyl)ethanol

Conditions
ConditionsYield
With sodium tetrahydroborate In ethanol; water at 45℃; for 2h; Green chemistry;95%
With sodium tetrahydroborate; water at 0 - 20℃; for 5h;95%
With sodium tetrahydroborate; pyrographite In tetrahydrofuran; water at 50 - 60℃; for 3h;90%
2-acetylnitrobenzene
577-59-3

2-acetylnitrobenzene

3-methylbenzo[c]isoxazole
4127-53-1

3-methylbenzo[c]isoxazole

Conditions
ConditionsYield
With 2-bromo-2-nitropropane; indium In methanol; water at 50℃; for 0.333333h; Reduction; cyclisation;95%
With hydrogen In toluene at 30℃; under 6750.68 Torr; for 1h; Catalytic behavior; Reagent/catalyst; Autoclave; chemoselective reaction;94%
With tin(II) chloride dihdyrate In methanol; ethyl acetate at 20℃; Inert atmosphere;93%
2-acetylnitrobenzene
577-59-3

2-acetylnitrobenzene

2-bromo-1-(2-nitrophenyl)ethanone
6851-99-6

2-bromo-1-(2-nitrophenyl)ethanone

Conditions
ConditionsYield
With aluminium trichloride; bromine In diethyl ether95%
With bromine; copper(ll) bromide In chloroform; ethyl acetate at 80℃;91.8%
With aluminum (III) chloride; bromine In diethyl ether at 0 - 20℃; for 4h; Inert atmosphere;88%
2-acetylnitrobenzene
577-59-3

2-acetylnitrobenzene

hydrazone of 2-nitroacetophenone
116271-34-2

hydrazone of 2-nitroacetophenone

Conditions
ConditionsYield
With hydrazine hydrate; acetic acid In ethanol; water for 3h; Heating;95%
With hydrazine hydrate; acetic acid In ethanol at 80℃; for 1h; Reflux;95%
With hydrazine hydrate; acetic acid In ethanol for 3h; Reflux;81%
With hydrazine hydrate; acetic acid In ethanol for 4h; Reflux;49.3%
With hydrazine hydrate In ethanol Reflux;
2-acetylnitrobenzene
577-59-3

2-acetylnitrobenzene

N,N-dimethyl-formamide dimethyl acetal
4637-24-5

N,N-dimethyl-formamide dimethyl acetal

(E)-3-(N,N-dimethylamino)-1-(2-nitrophenyl)-2-propen-1-one
153813-81-1

(E)-3-(N,N-dimethylamino)-1-(2-nitrophenyl)-2-propen-1-one

Conditions
ConditionsYield
In N,N-dimethyl-formamide at 100℃; for 0.75h; Inert atmosphere;95%
In toluene at 110℃; Inert atmosphere;95%
In N,N-dimethyl-formamide at 100℃; for 8h;88%
2-acetylnitrobenzene
577-59-3

2-acetylnitrobenzene

4-bromo-benzaldehyde
1122-91-4

4-bromo-benzaldehyde

(E)-1-(2-nitrophenyl)-3-(4-bromophenyl)-2-propen-1-one

(E)-1-(2-nitrophenyl)-3-(4-bromophenyl)-2-propen-1-one

Conditions
ConditionsYield
With acetic acid In ethanol Aldol Condensation;95%
With sodium hydroxide; ethanol
With sodium hydroxide In ethanol; water at 20℃;
2-acetylnitrobenzene
577-59-3

2-acetylnitrobenzene

N-methoxylamine hydrochloride
593-56-6

N-methoxylamine hydrochloride

o-nitroacetophenone O-methyl oxime
288591-69-5

o-nitroacetophenone O-methyl oxime

Conditions
ConditionsYield
In pyridine; ethanol for 8h; Condensation; Heating;95%
With pyridine In ethanol for 3h; Molecular sieve; Heating / reflux;87%
With pyridine In ethanol at 60℃; for 6h;
2-acetylnitrobenzene
577-59-3

2-acetylnitrobenzene

1,2-diamino-benzene
95-54-5

1,2-diamino-benzene

C22H18N4O4
1235974-13-6

C22H18N4O4

Conditions
ConditionsYield
With silica gel-supported sulfuric acid In methanol at 20℃; for 0.833333h;95%
2-acetylnitrobenzene
577-59-3

2-acetylnitrobenzene

3,4-dimethoxy-benzaldehyde
120-14-9

3,4-dimethoxy-benzaldehyde

(2E)-3-(3,4-dimethoxyphenyl)-1-(2-nitrophenyl)-2-propen-1-one

(2E)-3-(3,4-dimethoxyphenyl)-1-(2-nitrophenyl)-2-propen-1-one

Conditions
ConditionsYield
With sodium hydroxide In ethanol at 0℃; for 3h; Aldol condensation; Inert atmosphere;95%
With sodium hydroxide In ethanol; water at 20℃; for 12h;91%
With potassium hydroxide In ethanol; water at 0 - 25℃; Claisen-Schmidt Condensation; Inert atmosphere;83%
With sodium hydroxide In ethanol; water at 20℃;75%
With sodium hydroxide In ethanol; water at 20℃;

2-Nitroacetophenone Consensus Reports

Reported in EPA TSCA Inventory.

2-Nitroacetophenone Specification

The 2-Nitroacetophenone is an organic compound with the formula C8H7NO3. The IUPAC name of this chemical is 1-(2-nitrophenyl)ethanone. With the CAS registry number 577-59-3, it is also named as Ethanone, 1- (2-nitrophenyl)-. The product's categories are Carbonyl Compounds; Aromatic Acetophenones & Derivatives (substituted); C7 to C8; Carbonyl Compounds; Ketones; Pharmaceutical Intermediates. Besides, it is yellow-green liquid or crystal, which should be stored in a closed cool and dry place. It is the sensitizer which can be used as pharmaceutical intermediates.

Physical properties about 2-Nitroacetophenone are: (1)ACD/LogP: 1.28; (2)ACD/LogD (pH 5.5): 1.28; (3)ACD/LogD (pH 7.4): 1.28; (4)ACD/BCF (pH 5.5): 5.53; (5)ACD/BCF (pH 7.4): 5.53; (6)ACD/KOC (pH 5.5): 118.39; (7)ACD/KOC (pH 7.4): 118.39; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 62.89 Å2; (11)Index of Refraction: 1.558; (12)Molar Refractivity: 42.82 cm3; (13)Molar Volume: 132.8 cm3; (14)Polarizability: 16.97×10-24cm3; (15)Surface Tension: 47.1 dyne/cm; (16)Density: 1.243 g/cm3; (17)Flash Point: 137.8 °C; (18)Enthalpy of Vaporization: 52.55 kJ/mol; (19)Boiling Point: 286.4 °C at 760 mmHg; (20)Vapour Pressure: 0.00264 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-ethyl-2-nitro-benzene. This reaction will need reagent Erhitzen mit Luft.



Uses of 2-Nitroacetophenone: it can be used to produce 2-nitro-benzoic acid at temperature of 20 °C. It will need reagent N-bromophthalimide, Hg(OAc)2 and solvent CHCl3 with reaction time of 2 hours. The yield is about 90%.

When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed. When you are using it, do not breathe dust and avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1ccccc1C(=O)C
(2)InChI: InChI=1/C8H7NO3/c1-6(10)7-4-2-3-5-8(7)9(11)12/h2-5H,1H3
(3)InChIKey: SUGXZLKUDLDTKX-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C8H7NO3/c1-6(10)7-4-2-3-5-8(7)9(11)12/h2-5H,1H3
(5)Std. InChIKey: SUGXZLKUDLDTKX-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 skin > 20gm/kg (20000mg/kg)   Pesticide & Toxic Chemical News. Vol. 9(44), Pg. 6, 1981.
mouse LD50 oral 800mg/kg (800mg/kg)   Pesticide & Toxic Chemical News. Vol. 9(44), Pg. 6, 1981.
rat LD50 oral 1600mg/kg (1600mg/kg)   Pesticide & Toxic Chemical News. Vol. 9(44), Pg. 6, 1981.

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