• Name

  ACETIC ACID 4-NITROBENZYL ESTER

• EINECS
• CAS No. 619-90-9
• Article Data148
• CAS DataBase
• Density 1.3544 (rough estimate)
• Solubility
• Melting Point 78°C
• Formula C9H9 N O4
• Boiling Point 331.83°C (rough estimate)
• Molecular Weight 195.175
• Flash Point 141.4oC
• Transport Information
• Appearance
• Safety Mutation data reported. When heated to decomposition it emits toxic vapors of NO_x.
• Risk Codes
• Molecular Structure
• Hazard Symbols
• Synonyms Benzenemethanol,4-nitro-, acetate (ester) (9CI); Benzyl alcohol, p-nitro-, acetate (6CI,7CI);Benzyl alcohol, p-nitro-, acetate (ester) (8CI); 4-Nitrobenzyl acetate; Aceticacid, p-nitrobenzyl ester; NSC 403575; p-Nitrobenzyl acetate
• PSA 72.12000
• LogP 2.18110

Synthetic route

127-08-2

potassium acetate

100-11-8

1-bromomethyl-4-nitro-benzene

619-90-9

4-nitrobenzyl acetate

Conditions

Conditions	Yield
5,11,17,23,29,35-Hexa-p-tert-butyl-37,38,39,40,41,42-hexakis-(3,6,9-trioxadecyloxy)calix<6>arene In dichloromethane at 40℃; for 24h;	100%
5,11,17,23,29,35-Hexa-p-tert-butyl-37,38,39,40,41,42-hexakis-(3,6,9-trioxadecyloxy)calix<6>arene In dichloromethane; water at 40℃; for 24h;	100%
"octopus-type" calixarene 1 In dichloromethane; water at 40℃; for 24h; Product distribution; other catalysts, content of water, other carboxylates;	100%
With ethanol
5,11,17,23,29,35-hexa-....-calix<6>arene In dichloromethane at 40℃; for 24h; influence of other catalysts;

619-73-8

4-nitrobenzyl chloride

75-36-5

acetyl chloride

619-90-9

4-nitrobenzyl acetate

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 20℃; for 3h;	100%
With hydroxyapatite supported copper(I) oxide In acetonitrile at 50℃; for 0.0833333h; Reagent/catalyst;	93%

619-73-8

4-nitrobenzyl chloride

108-24-7

acetic anhydride

619-90-9

4-nitrobenzyl acetate

Conditions

Conditions	Yield
K5 In acetonitrile at 20℃; for 0.25h;	99%
With thalium(III) chloride tetrahydrate at 20℃; for 0.116667h;	99%
With polyvinylpolypyrrolidone-bound boron trifluoride In acetonitrile at 20℃; for 2h;	99%

619-73-8

4-nitrobenzyl chloride

64-19-7

acetic acid

619-90-9

4-nitrobenzyl acetate

Conditions

Conditions	Yield
With bismuth(III) chloride for 1.25h; Heating;	99%
With K5 for 0.75h; Heating;	98%
With potassium fluoride at 80℃; for 3h;	97%

619-73-8

4-nitrobenzyl chloride

141-78-6

ethyl acetate

619-90-9

4-nitrobenzyl acetate

Conditions

Conditions	Yield
With C12F18O13Zn4 for 18h; Reflux; Inert atmosphere;	99%
With heterogeneous zinc/imidazole catalyst at 90℃; for 6h; Inert atmosphere; Schlenk technique;	94%
With cerium(IV) trifluoromethanesulfonate for 4h; Acetylation; Heating;	90%

108-05-4

vinyl acetate

619-73-8

4-nitrobenzyl chloride

619-90-9

4-nitrobenzyl acetate

Conditions

Conditions	Yield
With C12F18O13Zn4 for 18h; Reflux; Inert atmosphere;	99%
iodine at 20℃; for 6h;	93%
With lipase from Candida rugosa at 50℃; for 48h; Enzymatic reaction;	79.7%

619-73-8

4-nitrobenzyl chloride

122-79-2

Phenyl acetate

619-90-9

4-nitrobenzyl acetate

Conditions

Conditions	Yield
With C12F18O13Zn4 at 90℃; for 18h; Inert atmosphere;	99%

108-22-5

Isopropenyl acetate

619-73-8

4-nitrobenzyl chloride

619-90-9

4-nitrobenzyl acetate

Conditions

Conditions	Yield
With platinum; 1-butyl-3-methylimidazolium Tetrafluoroborate at 20 - 60℃; for 2h; Inert atmosphere; Electrochemical reaction; Green chemistry;	98%
With 1,3-bis(2,4,6-trimethylphenyl)imidazole hydrochloride; potassium tert-butylate In benzene at 80℃; for 10h; Inert atmosphere;	87%
With tetraethylammonium bicarbonate at 60℃; for 2h;	87%

3240-34-4

[bis(acetoxy)iodo]benzene

175921-95-6

(E)-1-(4-nitrobenzylidene)hydrazine

619-90-9

4-nitrobenzyl acetate

Conditions

Conditions	Yield
	97%

14856-73-6

4-nitrobenzyl trimethylsilyl ether

108-24-7

acetic anhydride

619-90-9

4-nitrobenzyl acetate

Conditions

Conditions	Yield
bismuth(lll) trifluoromethanesulfonate In acetonitrile at 20℃; for 0.333333h;	97%

14856-73-6

4-nitrobenzyl trimethylsilyl ether

64-19-7

acetic acid

619-90-9

4-nitrobenzyl acetate

Conditions

Conditions	Yield
bismuth(lll) trifluoromethanesulfonate for 0.5h; Heating;	96%

127-09-3

sodium acetate

100-14-1

4-nitrobenzyl chloride

619-90-9

4-nitrobenzyl acetate

Conditions

Conditions	Yield
With 1,3-dimethylimidazolinium methanesulfonate at 90℃; for 0.5h;	95%
With Fe3O4*SiO2/DABCO In water at 90℃; for 4h;	76%
With acetic acid

18483-99-3

2-(4-nitrobenzyloxy)tetrahydro-2H-pyran

108-24-7

acetic anhydride

619-90-9

4-nitrobenzyl acetate

Conditions

Conditions	Yield
bismuth(lll) trifluoromethanesulfonate In acetonitrile for 0.666667h; Heating;	95%
copper(II) sulfate In dichloromethane for 3h; Heating;	51%
K5 at 20℃; for 0.166667h;	50 % Chromat.

18483-99-3

2-(4-nitrobenzyloxy)tetrahydro-2H-pyran

64-19-7

acetic acid

619-90-9

4-nitrobenzyl acetate

Conditions

Conditions	Yield
bismuth(lll) trifluoromethanesulfonate for 0.75h; Heating;	95%
K5 for 1h; Heating;	45 % Chromat.

619-73-8

4-nitrobenzyl chloride

619-90-9

4-nitrobenzyl acetate

Conditions

Conditions	Yield
With phenyl-trimethyl-ammonium perbromide In acetone at 20℃; for 3.33333h;	94%
Multi-step reaction with 2 steps 1: 2,6-di-tert-butylpyridine / 0.5 h / Ambient temperature 2: aq. NaHCO3 / 0.25 h View Scheme
With acetic anhydride; acetic acid In hexane

14856-73-6

4-nitrobenzyl trimethylsilyl ether

141-78-6

ethyl acetate

619-90-9

4-nitrobenzyl acetate

Conditions

Conditions	Yield
With titanium tetrachloride for 2h; Heating;	93%

619-73-8

4-nitrobenzyl chloride

108-21-4

Isopropyl acetate

619-90-9

4-nitrobenzyl acetate

Conditions

Conditions	Yield
With C12F18O13Zn4 at 90℃; for 18h; Inert atmosphere;	92%

619-73-8

4-nitrobenzyl chloride

75-05-8

acetonitrile

619-90-9

4-nitrobenzyl acetate

Conditions

Conditions	Yield
Stage #1: 4-nitrobenzyl chloride; acetonitrile With trimethylsilyl trifluoromethanesulfonate at 20℃; for 65h; Pinner Imino Ether Synthesis; Stage #2: With water	90%
With o-benzenedisulfonimide for 72h;	31%

108-24-7

acetic anhydride

139884-17-6

1-((methoxymethoxy)methyl)-4-nitrobenzene

619-90-9

4-nitrobenzyl acetate

Conditions

Conditions	Yield
With 12-tungstophosphoric acid immobilized on [bmim][FeCl4] at 120 - 130℃; for 0.0666667h; Microwave irradiation;	90%
With 1-methylimidazole hydrogen sulfate at 120℃; for 0.133333h; Microwave irradiation; chemoselective reaction;	83%
With 1-butyl-3-methylimidazolium tetrachloroindate at 145 - 150℃; for 0.233333h; Microwave irradiation;	79%

619-73-8

4-nitrobenzyl chloride

75-36-5

acetyl chloride

A

619-90-9

4-nitrobenzyl acetate

B

100-14-1

4-nitrobenzyl chloride

Conditions

Conditions	Yield
With 2,3-diethyl-2-cyclopropen-1-one In tert-butyl methyl ether at 20℃; for 4h;	A n/a B 90%

...Expand

1058649-42-5

4-nitro-1-[(ethoxymethoxy)methyl]benzene

108-24-7

acetic anhydride

619-90-9

4-nitrobenzyl acetate

Conditions

Conditions	Yield
With 12-tungstophosphoric acid immobilized on [bmim][FeCl4] at 120 - 130℃; for 0.0666667h; Microwave irradiation;	88%
With 1-butyl-3-methylimidazolium tetrachloroindate at 145 - 150℃; for 0.233333h; Microwave irradiation;	80%
With 1-methylimidazole hydrogen sulfate at 120℃; for 0.125h; Microwave irradiation; chemoselective reaction;	80%

619-73-8

4-nitrobenzyl chloride

109-60-4

1-Propyl acetate

619-90-9

4-nitrobenzyl acetate

Conditions

Conditions	Yield
With C12F18O13Zn4 at 90℃; for 18h; Inert atmosphere;	86%

18483-99-3

2-(4-nitrobenzyloxy)tetrahydro-2H-pyran

141-78-6

ethyl acetate

619-90-9

4-nitrobenzyl acetate

Conditions

Conditions	Yield
With indium (III) iodide for 14h; Heating;	82%
K5 for 2h; Heating;	53 % Chromat.

139884-17-6

1-((methoxymethoxy)methyl)-4-nitrobenzene

141-78-6

ethyl acetate

619-90-9

4-nitrobenzyl acetate

Conditions

Conditions	Yield
With indium (III) iodide for 18h; Heating;	82%

619-73-8

4-nitrobenzyl chloride

631-61-8

ammonium acetate

A

619-90-9

4-nitrobenzyl acetate

B

100-11-8

1-bromomethyl-4-nitro-benzene

Conditions

Conditions	Yield
With N-Bromosuccinimide; triphenylphosphine In acetonitrile at 20℃; for 12h; Cooling with ice;	A 80% B 10%

...Expand

619-73-8

4-nitrobenzyl chloride

108-24-7

acetic anhydride

A

619-90-9

4-nitrobenzyl acetate

B

64-19-7

acetic acid

Conditions

Conditions	Yield
With 3-((3-(trisilyloxy)propyl)propionamide)-1-methylimidazolium chloride ionic liquid supported on magnetic nanoparticle Fe2O3 at 20℃; for 7h;	A 79% B n/a

...Expand

7409-30-5

p-nitrobenzylamine

64-19-7

acetic acid

619-90-9

4-nitrobenzyl acetate

Conditions

Conditions	Yield
With sodium nitrite In water at 0 - 20℃; for 0.366667h;	78%

64-19-7

acetic acid

100-11-8

1-bromomethyl-4-nitro-benzene

619-90-9

4-nitrobenzyl acetate

Conditions

Conditions	Yield
With triethylamine; silver(l) oxide In water; acetonitrile	71%

99-99-0

1-methyl-4-nitrobenzene

A

619-90-9

4-nitrobenzyl acetate

B

555-16-8

4-nitrobenzaldehdye

Conditions

Conditions	Yield
With air; copper diacetate; cobalt(II) acetate; acetic acid; sodium bromide at 150℃; under 30400 Torr; for 1h;	A 62% B 22%

99-99-0

1-methyl-4-nitrobenzene

64-19-7

acetic acid

A

619-90-9

4-nitrobenzyl acetate

B

555-16-8

4-nitrobenzaldehdye

Conditions

Conditions	Yield
With air; copper diacetate; cobalt(II) acetate; sodium bromide at 150℃; under 30400 Torr; for 1h;	A 62% B 22%

...Expand

619-90-9

4-nitrobenzyl acetate

555-16-8

4-nitrobenzaldehdye

Conditions

Conditions	Yield
With methanol; potassium permanganate In ethyl acetate at 25℃; for 16h; Solvent;	99%

619-90-9

4-nitrobenzyl acetate

619-73-8

4-nitrobenzyl chloride

Conditions

Conditions	Yield
With acetyl chloride In methanol at 20℃; for 21h;	96%
With methanol; oxo[hexa(trifluoroacetato)]tetrazinc for 6h; Reflux; Inert atmosphere;	95%
With zirconocene dichloride; diisobutylaluminium hydride In tetrahydrofuran at -20℃; Inert atmosphere; regioselective reaction;	95%
With methanol; sodium hydroxide
With methanol; potassium permanganate at 25℃; for 1h; Catalytic behavior; Reagent/catalyst; chemoselective reaction;

619-90-9

4-nitrobenzyl acetate

100-47-0

benzonitrile

34907-24-9

N-(p-Nitrobenzyl) benzamide

Conditions

Conditions	Yield
With iron (III) perchlorate monohydrate In neat (no solvent) at 80℃; for 6h; Ritter Amidation;	87%

619-90-9

4-nitrobenzyl acetate

106-49-0

p-toluidine

Conditions

Conditions	Yield
With indium; ammonium chloride In ethanol Heating;	83%

619-90-9

4-nitrobenzyl acetate

1122-91-4

4-bromo-benzaldehyde

1-(4-bromophenyl)-2-(4-nitrophenyl)ethanol

Conditions

Conditions	Yield
With [1,1'-bis(diphenylphosphino)ferrocene]nickel(II) chloride; magnesium chloride; zinc In N,N-dimethyl-formamide at 20℃; for 24h;	83%

619-90-9

4-nitrobenzyl acetate

100-52-7

benzaldehyde

20273-74-9

2-(4-nitrophenyl)-1-phenylethanol

Conditions

Conditions	Yield
With [1,1'-bis(diphenylphosphino)ferrocene]nickel(II) chloride; magnesium chloride; zinc In N,N-dimethyl-formamide at 20℃; for 24h;	82%

4-NITROBENZYL ACETATE Chemical Properties

4-NITROBENZYL ACETATE Uses

4-NITROBENZYL ACETATE Toxicity Data With Reference

4-NITROBENZYL ACETATE Consensus Reports

4-NITROBENZYL ACETATE Safety Profile