4-Nitroanisole supplier | CasNO.100-17-4

Name
4-Nitroanisole
EINECS 202-825-3
CAS No. 100-17-4
Article Data364
CAS DataBase
Density 1.222 g/cm³
Solubility 0.468 g/L (20 °C) in water
Melting Point 51-53 °C
Formula C₇H₇NO₃
Boiling Point 260 °C at 760 mmHg
Molecular Weight 153.137
Flash Point 134.6 °C
Transport Information UN 3458 6.1/PG 3
Appearance Beige crystalline solid
Safety 61-36/37
Risk Codes 52/53-68
Molecular Structure
Hazard Symbols Xn
Synonyms Anisole,p-nitro- (8CI);1-Methoxy-4-nitrobenzene;4-Methoxy-1-nitrobenzene;4-Methoxynitrobenzene;4-Nitro-1-methoxybenzene;4-Nitroanisole;4-Nitromethoxybenzene;4-Nitrophenyl methyl ether;Methyl 4-nitrophenyl ether;Methyl p-nitrophenyl ether;NSC 5507;p-Methoxynitrobenzene;p-Nitroanisole;p-Nitrobenzene methyl ether;p-Nitromethoxybenzene;
PSA 55.05000
LogP 2.12660

Synthetic route

: 865-33-8
potassium methanolate

: 350-46-9
4-Fluoronitrobenzene

: 100-17-4
para-methoxynitrobenzene

Conditions

Conditions	Yield
In various solvent(s) at 125℃; for 0.0583333h; microwave irradiation;	100%

: 100-02-7
4-nitro-phenol

: 77-78-1
dimethyl sulfate

: 100-17-4
para-methoxynitrobenzene

Conditions

Conditions	Yield
With sulfuric acid; sodium hydroxide In water at 65℃; pH=9.5; Temperature; Reagent/catalyst;	99.01%
With poly(ethylene glycol) 400; sodium hydroxide at 110℃; for 8h;	95%
With aluminum oxide; potassium hydroxide for 5h; microwave irradiation;	89%

: 124-41-4
sodium methylate

: 100-00-5
4-chlorobenzonitrile

: 100-17-4
para-methoxynitrobenzene

Conditions

Conditions	Yield
In methanol at 40 - 60℃; for 1h; Temperature; Large scale;	99%
With Amberlyst A27 In toluene at 65℃; for 4h;	70%
[1,3-{bis-N-(N-methylimidazolylidene)methyl}-5-methylbenzenecopper dibromide] In ethyl acetate for 12h; Conversion of starting material; Heating / reflux;	70%

: 100-02-7
4-nitro-phenol

: 74-88-4
methyl iodide

: 100-17-4
para-methoxynitrobenzene

Conditions

Conditions	Yield
With potassium hydroxide In dimethyl sulfoxide Ambient temperature;	99%
Stage #1: 4-nitro-phenol With 1,8-diazabicyclo[5.4.0]undec-7-ene In acetone for 0.166667h; Stage #2: methyl iodide In acetone at 20℃; for 4h;	98%
With potassium carbonate In N,N-dimethyl-formamide at 20℃;	98%

: 681-84-5
tetramethylorthosilicate

: 350-46-9
4-Fluoronitrobenzene

: 100-17-4
para-methoxynitrobenzene

Conditions

Conditions	Yield
With tetrabutyl ammonium fluoride at 80℃; for 0.5h;	99%

: 2996-92-1
phenyl trimethylsiloxane

: 350-46-9
4-Fluoronitrobenzene

: 100-17-4
para-methoxynitrobenzene

Conditions

Conditions	Yield
With tetrabutyl ammonium fluoride at 80℃;	98%

: 67-56-1
methanol

: 100-00-5
4-chlorobenzonitrile

: 100-17-4
para-methoxynitrobenzene

Conditions

Conditions	Yield
With sodium hydroxide at 70 - 80℃; for 2h; Large scale;	97.2%
With sodium hydroxide at 70 - 80℃; for 2h; Large scale;	97.2%
With ammonia; sodium hydroxide at 10 - 20℃; for 12h; Autoclave;	97.5%

: 100-66-3
methoxybenzene

: 100-17-4
para-methoxynitrobenzene

Conditions

Conditions	Yield
With sodium nitrate In neat (no solvent) at 20℃; for 0.05h; Green chemistry;	97%
With 3-methyl-1-sulfonic acid imidazolium nitrate In dichloromethane at 20℃; for 0.0166667h;	92%
With bismuth(III) nitrate; Montmorillonite KSF for 0.2h; Nitration;	91%

: 104-94-9
4-methoxy-aniline

: 100-17-4
para-methoxynitrobenzene

Conditions

Conditions	Yield
With 3-chloro-benzenecarboperoxoic acid In 1,2-dichloro-ethane at 20℃; for 10h;	95%
With 1,9-diperoxynonanedioic acid In acetonitrile at 50℃; for 0.5h;	95%
With oxygen; methyltrioxorhenium(VII) In acetonitrile for 5h; Heating;	92%

: 1882-69-5
5-methoxy-2-nitro-benzoic acid

: 100-17-4
para-methoxynitrobenzene

Conditions

Conditions	Yield
With copper In 1-methyl-pyrrolidin-2-one at 250℃; for 0.25h;	95%
With silver(I) acetate; potassium carbonate In 1-methyl-pyrrolidin-2-one at 120℃; for 16h; Inert atmosphere;	88%
With copper(l) iodide; triethylamine In dimethyl sulfoxide at 120℃; under 760.051 Torr; for 20h; Inert atmosphere; Schlenk technique;	85%

: 67-56-1
methanol

: 350-46-9
4-Fluoronitrobenzene

: 100-17-4
para-methoxynitrobenzene

Conditions

Conditions	Yield
Stage #1: methanol With N-benzyl-trimethylammonium hydroxide for 0.166667h; Neat (no solvent); Stage #2: 4-Fluoronitrobenzene at 20℃; for 0.166667h; Neat (no solvent);	95%
With [(N,N′-bis(diisopropylphosphino)-2,6-diaminopyridine)Mn(CO)3][Br]; potassium hydroxide at 130℃; for 16h; Molecular sieve; Sealed tube;	80%
With potassium hydroxide
Stage #1: methanol With sodium hydride In tetrahydrofuran at 0℃; for 0.25h; Inert atmosphere; Stage #2: 4-Fluoronitrobenzene In tetrahydrofuran at 0 - 20℃; Inert atmosphere;

: 696-62-8
para-iodoanisole

: 100-17-4
para-methoxynitrobenzene

Conditions

Conditions	Yield
With copper(l) iodide; tetrabutylammonium nitrite; N,N`-dimethylethylenediamine In 1-methyl-pyrrolidin-2-one at 100℃; for 0.166667h; Microwave irradiation; Inert atmosphere;	94%
With copper; tetrabutylammonium nitrite; N,N`-dimethylethylenediamine In N,N-dimethyl-formamide at 110℃; for 0.283333h; Inert atmosphere; Microwave irradiation;	88%
With copper bronze; tetrabutylammonium nitrate; N,N`-dimethylethylenediamine In N,N-dimethyl-formamide at 100℃; for 3h;	81%

: 100-02-7
4-nitro-phenol

: 18107-18-1
diazomethyl-trimethyl-silane

: 100-17-4
para-methoxynitrobenzene

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In methanol; hexane; acetonitrile for 15h; Ambient temperature;	93%

: 403-66-7
p-nitrophenyl trifluoromethyl sulfide

: 124-41-4
sodium methylate

: 100-17-4
para-methoxynitrobenzene

Conditions

Conditions	Yield
In methanol for 2.5h; Heating;	93%

: 100-02-7
4-nitro-phenol

: 121-45-9
phosphorous acid trimethyl ester

: 100-17-4
para-methoxynitrobenzene

Conditions

Conditions	Yield
With diethylazodicarboxylate In tetrahydrofuran for 2h;	93%
With boron trifluoride In diethyl ether for 0.05h; microwave irradiation;	84%

: 100-02-7
4-nitro-phenol

: 616-38-6
carbonic acid dimethyl ester

: 100-17-4
para-methoxynitrobenzene

Conditions

Conditions	Yield
With magnesium oxide In N,N-dimethyl-formamide at 170℃; for 0.5h; Microwave irradiation; Green chemistry;	93%
With 1,8-diazabicyclo[5.4.0]undec-7-ene In N,N-dimethyl-formamide for 0.0416667h; microwave irradiation;	90%
With tributyl-amine In N,N-dimethyl-formamide at 285℃; under 112511 Torr; for 0.05h;	90%

: 100-02-7
4-nitro-phenol

: 1087-09-8
1,4-diphenyl-but-2-yne-1,4-dione

: 121-45-9
phosphorous acid trimethyl ester

A: dimethyl meso-[1-benzoyl-2-(dimethoxyphosphoryl)-3-oxo-3-phenylpropyl]phosphonate

B: 100-17-4
para-methoxynitrobenzene

Conditions

Conditions	Yield
In dichloromethane at 20℃; for 24h;	A 86% B 92%

...Expand

: C4H12BO4(1+)*K(1+)

: 100-00-5
4-chlorobenzonitrile

: 100-17-4
para-methoxynitrobenzene

Conditions

Conditions	Yield
With tris-(dibenzylideneacetone)dipalladium(0); tert-butyl XPhos In N,N-dimethyl-formamide at 100℃; Inert atmosphere;	92%

: 117635-44-6
tert-butyldimethyl(4-nitrophenoxy)silane

: 74-88-4
methyl iodide

: 100-17-4
para-methoxynitrobenzene

Conditions

Conditions	Yield
With tetrabutyl ammonium fluoride In tetrahydrofuran Ambient temperature;	91%

: 733-53-9
p-methoxyphenyl(phenyl)iodonium tetrafluoroborate

A: 591-50-4
iodobenzene

B: 100-17-4
para-methoxynitrobenzene

C: 696-62-8
para-iodoanisole

D: 98-95-3
nitrobenzene

Conditions

Conditions	Yield
With sodium nitrite In chloroform; water at 56℃; for 3h; Title compound not separated from byproducts;	A 8 % Chromat. B 9% C 90% D 90 % Chromat.
With sodium nitrite In chloroform; water at 56℃; for 3h;	A 8 % Chromat. B 9% C 90% D 90 % Chromat.
With sodium nitrite In chloroform; water at 56℃; for 3h; Product distribution; other substituted arylphenyliodonium fluoroborates, diphenyliodonium fluoroborate, other reaction time;	A 8 % Chromat. B 9% C 90% D 90 % Chromat.

...Expand

: 1882-69-5
5-methoxy-2-nitro-benzoic acid

A: 100-17-4
para-methoxynitrobenzene

B: 124-38-9
carbon dioxide

Conditions

Conditions	Yield
With copper(I) oxide; bathophenanthroline In 1-methyl-pyrrolidin-2-one; quinoline at 170℃; for 16h; Product distribution;	A 90% B n/a

: 67-56-1
methanol

: 586-78-7
para-nitrophenyl bromide

: 100-17-4
para-methoxynitrobenzene

Conditions

Conditions	Yield
With tris-(dibenzylideneacetone)dipalladium(0); caesium carbonate; tert-butyl XPhos In toluene at 85℃; for 0.42h; Inert atmosphere;	90%
With caesium carbonate; copper(l) iodide at 110℃; for 12h;	88%
With bis(μ-iodo)bis[(-)-sparteine]-dicopper(I); caesium carbonate at 120℃; for 12h;	87%

: 5720-07-0
4-methoxyphenylboronic acid

: 100-17-4
para-methoxynitrobenzene

Conditions

Conditions	Yield
With 1,3-disulfonic acid imidazolium nitrate In neat (no solvent) at 20℃; for 0.0166667h;	90%
With zirconium(IV) oxynitrate hydrate; iodine In toluene at 20℃; for 12h; Inert atmosphere;	86%
With bismuth (III) nitrate pentahydrate In toluene at 70 - 80℃; for 2h; Inert atmosphere;	85%

: 100-02-7
4-nitro-phenol

: 598-99-2
Methyl trichloroacetate

: 100-17-4
para-methoxynitrobenzene

Conditions

Conditions	Yield
With 18-crown-6 ether; potassium carbonate at 150℃; for 2h;	88%

: 100-02-7
4-nitro-phenol

: 138-24-9
phenyltrimethylammonium chloride

A: 100-17-4
para-methoxynitrobenzene

B: 121-69-7
N,N-dimethyl-aniline

Conditions

Conditions	Yield
With caesium carbonate In toluene for 48h; Heating;	A 88% B n/a

...Expand

: 100-02-7
4-nitro-phenol

: 762-42-5
dimethyl acetylenedicarboxylate

: 121-45-9
phosphorous acid trimethyl ester

A: dimethyl meso-2,3-bis(dimethoxyphosphoryl)succinate

B: 100-17-4
para-methoxynitrobenzene

Conditions

Conditions	Yield
In dichloromethane at 20℃;	A 88% B n/a

...Expand

: 115298-63-0
phenyl(4-methoxyphenyl)iodonium triflate

A: 100-17-4
para-methoxynitrobenzene

B: 98-95-3
nitrobenzene

Conditions

Conditions	Yield
With sodium nitrite In ethyl acetate at 70℃; for 16h; Sealed tube; chemoselective reaction;	A 6% B 86%

: 100-66-3
methoxybenzene

A: 100-17-4
para-methoxynitrobenzene

B: 91-23-6
2-Nitroanisole

Conditions

Conditions	Yield
With silica supported Al(NO3)3*9H2O In acetone at 20℃; for 0.75h; regioselective reaction;	A 13% B 85%
With sodium nitrite for 0.0333333h; Reagent/catalyst; Microwave irradiation;	A 85% B 12%
With thionyl chloride; bismuth subnitrate In dichloromethane at 20℃; for 2h;	A 76% B 12%

: 67-56-1
methanol

: 636-98-6
p-nitrobenzene iodide

: 100-17-4
para-methoxynitrobenzene

Conditions

Conditions	Yield
With caesium carbonate In neat (no solvent) at 110℃; for 24h; Inert atmosphere; Sealed tube;	85%
With caesium carbonate; copper(l) iodide at 110℃; for 12h;	81%
With potassium phosphate; Cu(2,2'-bipyridyl)2BF4 at 80℃; for 24h;	80%

: O-methyl bis(O-4-nitrophenyl)phosphite

: 21090-30-2
3'-O-acetylthymidine

: 40615-39-2
5'-O-(4-4'-dimethoxytrityl)thymidine

A: 100-17-4
para-methoxynitrobenzene

B: 118149-31-8
5'-O-dimethoxytritylthimidine-3'-O-(5'-O-thymidylyl-3'-O-acetyl)phosphorothioate

Conditions

Conditions	Yield
Stage #1: O-methyl bis(O-4-nitrophenyl)phosphite; 5'-O-(4-4'-dimethoxytrityl)thymidine With sodium hydride In tetrahydrofuran at 20℃; for 0.5h; Inert atmosphere; Stage #2: 3'-O-acetylthymidine With sodium hydride In tetrahydrofuran at 20℃; for 2h; Inert atmosphere; Stage #3: With sulfur In diisopropylamine at 20℃; for 2h; Inert atmosphere;	A n/a B 85%

...Expand

: 100-17-4
para-methoxynitrobenzene

: 104-94-9
4-methoxy-aniline

Conditions

Conditions	Yield
With carbon monoxide; water; [Ru(cyclo-octa-1,5-diene)(pyridine)4][BPh4]2 In tetrahydrofuran at 170℃; for 20h;	100%
With hydrogen In ethyl acetate at 20℃; under 7600.51 Torr; for 4h; chemoselective reaction;	100%
With hydrogen In methanol at 20℃; for 2h;	100%

: 109-74-0
propyl cyanide

: 100-17-4
para-methoxynitrobenzene

A: 61829-43-4
N-butyl-4-methoxyaniline

B: 82749-62-0
N,N-dibutyl-4-methoxylaniline

Conditions

Conditions	Yield
Stage #1: para-methoxynitrobenzene With ammonium formate; palladium on activated charcoal In methanol; water at 20℃; Stage #2: propyl cyanide In methanol; water	A 100% B n/a

...Expand

: 100-17-4
para-methoxynitrobenzene

: 123-72-8
butyraldehyde

: 61829-43-4
N-butyl-4-methoxyaniline

Conditions

Conditions	Yield
With ammonium formate; palladium on activated charcoal In water; isopropyl alcohol at 20℃; for 1h;	100%
With acetic acid; zinc In methanol at 20℃; for 0.5h;	100%

: 100-17-4
para-methoxynitrobenzene

: 75-07-0
acetaldehyde

: 104-48-3
4-methoxy-N-ethylaniline

Conditions

Conditions	Yield
With hydrogen; sodium hydroxide In ethanol at 125℃; under 26252.6 Torr; for 4h; Concentration; Autoclave;	99.3%
With hydrogen; palladium on activated charcoal In ethanol; N,N-dimethyl-formamide for 5h;	79%

: 100-17-4
para-methoxynitrobenzene

: 108-24-7
acetic anhydride

: 51-66-1
4-methoxyacetanilide

Conditions

Conditions	Yield
Stage #1: para-methoxynitrobenzene With trichlorosilane; triethylamine In acetonitrile at 0 - 25℃; for 1.5h; Stage #2: acetic anhydride With methanol In acetonitrile at 25 - 65℃; for 24h; chemoselective reaction;	99%
With indium; acetic acid In methanol at 20℃; for 1.5h;	94%
Stage #1: para-methoxynitrobenzene With sodium tetrahydroborate In water at 20℃; for 0.5h; Green chemistry; Stage #2: acetic anhydride In water at 20℃; for 1.25h; Green chemistry;	93%
With tin(ll) chloride

: 100-17-4
para-methoxynitrobenzene

: 107-12-0
propiononitrile

A: 107411-43-8
4-(4-methoxyphenyl)-dipropylamine

B: 71193-47-0
N-(4-methoxyphenyl)-N-propylamine

Conditions

Conditions	Yield
Stage #1: para-methoxynitrobenzene With ammonium formate; palladium on activated charcoal In methanol; water at 20℃; Stage #2: propiononitrile In methanol; water	A n/a B 99%

...Expand

: 100-17-4
para-methoxynitrobenzene

: 100-52-7
benzaldehyde

: 17377-95-6
benzyl(4-methoxyphenyl)amine

Conditions

Conditions	Yield
With hydrogen In toluene at 80℃; under 15001.5 Torr; for 18h; Autoclave;	99%
With sodium tetrahydroborate In water at 20℃; for 0.583333h; Catalytic behavior; Green chemistry;	96%
With 5% Au/Fe2O3; hydrogen In toluene at 120℃; under 15001.5 Torr; for 6h; Autoclave;	95%

: 100-17-4
para-methoxynitrobenzene

: 75-05-8
acetonitrile

: 104-48-3
4-methoxy-N-ethylaniline

Conditions

Conditions	Yield
With palladium 10% on activated carbon; hydrogen In ethyl acetate at 20℃; under 760.051 Torr; for 5h;	99%
With 10% palladium on activated charcoal; hydrogen In tetrahydrofuran at 20℃; under 760.051 Torr; for 26h;	84%

: 100-17-4
para-methoxynitrobenzene

: 133745-75-2
N-fluorobis(benzenesulfon)imide

: 1453101-02-4
N-(2-methoxy-5-nitrophenyl)-N-(phenylsulfonyl)benzenesulfonamide

Conditions

Conditions	Yield
With [Ag(2,2'-bipyridine)2](ClO4); C20H28N4O2Pd*2CHF3O3S In acetonitrile at 23℃; for 24h; Inert atmosphere; Sealed tube;	99%
With [Ag(2,2'-bipyridine)2](ClO4); C20H28N4O2Pd(2+)*2CF3O3S(1-) In acetonitrile at 23℃; for 24h; Inert atmosphere; Sealed tube;	99%

: 100-17-4
para-methoxynitrobenzene

: 124-38-9
carbon dioxide

: 701-56-4
4-methoxy-N,N-dimethylanilne

Conditions

Conditions	Yield
Stage #1: para-methoxynitrobenzene With proazaphosphatrane In tetrahydrofuran at 90℃; for 24h; Inert atmosphere; Schlenk technique; Stage #2: carbon dioxide at 90℃; under 750.075 Torr; for 1h; Inert atmosphere; Schlenk technique;	99%
With Aminomethylphosphonic acid; water; 1-butyl-3-methylimidazolium trifluoromethanesulfonimide In acetonitrile at 30℃; under 750.075 Torr; for 10h; Electrochemical reaction; Saturated gas;	74 %Spectr.

: 100-17-4
para-methoxynitrobenzene

: C7H5(2)H2NO3

Conditions

Conditions	Yield
With [((B(C6F5)3)-1,3-bis(2,4,6-trimethylphenyl)imidazolin-2-ylidene)Ir(PPh2Me)(1,5-cyclooctadiene)]; deuterium In cyclohexane at 20℃; for 16h; Reagent/catalyst; Inert atmosphere;	99%
With C33H50IrN3P(1+)*C32H12BF24(1-); deuterium In dichloromethane at 21 - 24℃; under 760.051 Torr; for 1h;

: 100-17-4
para-methoxynitrobenzene

: 110-13-4
2,5-hexanedione

: 5044-27-9
1-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrole

Conditions

Conditions	Yield
With formic acid for 12h; Autoclave; Inert atmosphere; Green chemistry;	98.9%
With indium; acetic acid In toluene at 80℃; for 1.5h; Inert atmosphere;	95%
In tetrahydrofuran; water at 120℃; for 24h;	94%
With carbon monoxide; water In tetrahydrofuran at 120℃; under 3800.26 Torr; for 24h;	93%

: 100-17-4
para-methoxynitrobenzene

: 119-27-7
2,4-dinitroanisole

Conditions

Conditions	Yield
With trifluoromethylsulfonic anhydride; ethylammonium nitrate at 0 - 20℃; for 0.416667h; Inert atmosphere; regioselective reaction;	98%
With nitric acid at 0℃;
With bismuth (III) nitrate pentahydrate In 1,2-dichloro-ethane at 80 - 85℃; for 48h;	94 %Chromat.

: 100-17-4
para-methoxynitrobenzene

: 100-02-7
4-nitro-phenol

Conditions

Conditions	Yield
With lithium chloride In N,N-dimethyl-formamide for 24h; Heating;	98%
With water; hydrogen bromide; Aliquat 336 at 105℃; for 3.5h; Catalytic behavior;	97%
With copper(I) oxide; sodium methylate In methanol at 185℃; for 12h; Autoclave;	87%

: 64-18-6
formic acid

: 100-17-4
para-methoxynitrobenzene

: 5470-34-8
4-methoxyformanilide

Conditions

Conditions	Yield
With silver nanoparticles decorated mesoporous 1,3,5-triformylphloroglucinol-DMB covalent organic framework nanomaterial In water at 20℃; for 2h; Catalytic behavior; Irradiation; Green chemistry;	98%
With gold nano particles supported on rutile TiO2 In toluene at 70℃; under 750.075 Torr; for 3h; Inert atmosphere; chemoselective reaction;	96%
With silver and palladium nanoparticles immobilized over the surface of graphitic carbon nitride (g-C3N4) In water for 2h; Irradiation;	96%

: 100-17-4
para-methoxynitrobenzene

: 16712-16-6, 64165-14-6, 65387-22-6, 70179-79-2, 540-69-2
ammonium formate

: 5470-34-8
4-methoxyformanilide

Conditions

Conditions	Yield
With cobalt nanoparticles coated by N,P-codoped carbon shell pyrolyzed at 800°C In tetrahydrofuran at 120℃; for 12h; Schlenk technique; Inert atmosphere;	98%
With gold nanoparticles supported on titanium dioxide (TiO2) In acetonitrile for 2.5h; Inert atmosphere; Reflux;	93%
With zinc for 0.0333333h; microwave irradiation;	84%
With glycolic Acid at 30℃; for 48h; Irradiation; Inert atmosphere;	17 %Spectr.

: 100-17-4
para-methoxynitrobenzene

: 24424-99-5
di-tert-butyl dicarbonate

: 18437-68-8
tert-butyl N-(4-methoxyphenyl)carbamate

Conditions

Conditions	Yield
Stage #1: para-methoxynitrobenzene With sodium tetrahydroborate In water at 20℃; for 0.5h; Green chemistry; Stage #2: di-tert-butyl dicarbonate In water at 20℃; for 1.33333h; Green chemistry;	98%

: 14040-11-0
tungsten hexacarbonyl

: 100-17-4
para-methoxynitrobenzene

: 616-38-6
carbonic acid dimethyl ester

: 51-66-1
4-methoxyacetanilide

Conditions

Conditions	Yield
With di(rhodium)tetracarbonyl dichloride; 1,3-bis-(diphenylphosphino)propane; sodium phosphate; sodium iodide In water at 120℃; for 24h; Inert atmosphere; Sealed tube;	98%

...Expand

: 100-17-4
para-methoxynitrobenzene

: 67-64-1
acetone

: 16495-67-3
4-(isopropylamino)anisole

Conditions

Conditions	Yield
With 0.5% Pd on alumina; hydrogen In ethyl acetate at 30℃; for 12h; Green chemistry;	97.6%
With acetic acid; zinc In methanol at 20℃; for 0.5h;	95%
With carbon monoxide; water In tetrahydrofuran at 120℃; under 3800.26 Torr; for 24h;	74%

: 100-17-4
para-methoxynitrobenzene

: 100-52-7
benzaldehyde

: 94664-76-3, 19064-76-7
(Z)-N-(4-methoxyphenyl)-1-phenylmethanimine oxide

Conditions

Conditions	Yield
With ammonium chloride; zinc In ethanol; water at 0 - 20℃; for 16h;	97%
With ammonium chloride; zinc In ethanol; water at 0 - 20℃;	63%

: 50-00-0
formaldehyd

: 100-17-4
para-methoxynitrobenzene

: 701-56-4
4-methoxy-N,N-dimethylanilne

Conditions

Conditions	Yield
With sodium carbonate In water; dimethyl sulfoxide at 130℃; for 15h; Schlenk technique; Sealed tube; Green chemistry;	97%
With acetic acid; zinc In methanol at 20℃; for 0.5h;	96%
With methanol; hydrogen at 79.84℃; under 9750.98 Torr; for 1h; Autoclave;
With formic acid; triethylamine In water; tert-butyl alcohol at 100℃; for 24h; Reagent/catalyst;
With hydrogenchloride; iron In ethanol; water at 50℃; for 12h;	28.2 g

: 100-17-4
para-methoxynitrobenzene

: 104-88-1
4-chlorobenzaldehyde

: 20357-42-0
N-(4-chlorobenzyl)-4-methoxyaniline

Conditions

Conditions	Yield
With acetic acid; zinc In methanol at 20℃; for 0.5h;	97%
With formic acid; triethylamine In water; tert-butyl alcohol at 100℃; for 24h;	86%
With carbon monoxide; water In tetrahydrofuran at 120℃; under 3800.26 Torr; for 24h;	80%

4-Nitroanisole Consensus Reports

Reported in EPA TSCA Inventory. EPA Genetic Toxicology Program.

4-Nitroanisole Specification

The p-Nitroanisole with CAS registry number of 100-17-4 is also known as 4-Nitro-1-methoxybenzene. The IUPAC name is 1-Methoxy-4-nitrobenzene. It belongs to product categories of Aromatic Ethers. Its EINECS registry number is 202-825-3. In addition, the formula is C₇H₇NO₃ and the molecular weight is 153.15. This chemical is a beige crystalline solid and soluble in alcohol, ether, boiling petroleum ether, slightly soluble in cold petroleum ether and insoluble in water. Besides, it should be sealed in ventilated, cool place away from oxidants, reducing agents, acids and alkali. This chemical is used as dye and pharmaceutical intermediates, mainly for the production of amino-anisole, blue salt, vitamin b.

Physical properties about p-Nitroanisole are: (1)ACD/LogP: 2.03; (2)ACD/LogD (pH 5.5): 2.03; (3)ACD/LogD (pH 7.4): 2.03; (4)#H bond acceptors: 4 #H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Index of Refraction: 1.542; (7)Molar Refractivity: 39.47 cm³; (8)Molar Volume: 125.2 cm³; (9)Surface Tension: 42.2 dyne/cm; (10)Density: 1.222 g/cm³; (11)Flash Point: 134.6 °C; (12)Enthalpy of Vaporization: 47.76 kJ/mol; (13)Boiling Point: 260 °C at 760 mmHg; (14)Vapour Pressure: 0.0203 mmHg at 25 °C.

Preparation of p-Nitroanisole: it is prepared by reaction of 1-chloro-4-nitro-benzene with methanol; sodium salt. The reaction needs reagent amberlyst A27 and solvent toluene at the temperature of 60 °C. The yield is about 70%.

p-Nitroanisole is prepared by reaction of 1-chloro-4-nitro-benzene with methanol; sodium salt.

Uses of p-Nitroanisole: it is used to produce 2-iodo-4-nitro-anisole. The reaction occurs with reagent I₂/F₂ and solvents CHCl₃, CCl₃F at the temperature of 25 °C for 12 hours. The yield is about 80%.

p-Nitroanisole is used to produce 2-iodo-4-nitro-anisole.

When you are using this chemical, please be cautious about it. As a chemical, it is harmful to aquatic organisms that may cause long-term adverse effects in the aquatic environment. This chemical also has possible risk of irreversible effects. During using it, wear suitable protective clothing and gloves. Avoid release to the environment.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: COC1=CC=C(C=C1)[N+](=O)[O-]
2. InChI: InChI=1S/C7H7NO3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3
3. InChIKey: BNUHAJGCKIQFGE-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	698mg/kg (698mg/kg)	BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)	Toxicology and Applied Pharmacology. Vol. 41, Pg. 216, 1977.
mouse	LDLo	oral	300mg/kg (300mg/kg)		Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. Vol. 4, Pg. 91, 1962.
rat	LD50	intraperitoneal	1400mg/kg (1400mg/kg)	BEHAVIORAL: GENERAL ANESTHETIC GASTROINTESTINAL: OTHER CHANGES LIVER: FATTY LIVER DEGERATION	Archiv fuer Gewerbepathologie und Gewerbehygiene. Vol. 17, Pg. 217, 1959.
rat	LD50	oral	2300mg/kg (2300mg/kg)		Trudy Leningradskogo Sanitarno-Gigienicheskogo Meditsinskogo Instituta. Vol. 128, Pg. 14, 1979.
rat	LD50	skin	> 16gm/kg (16000mg/kg)	LIVER: FATTY LIVER DEGERATION KIDNEY, URETER, AND BLADDER: OTHER CHANGES	Archiv fuer Gewerbepathologie und Gewerbehygiene. Vol. 17, Pg. 217, 1959.

Product Name

4-Nitroanisole

Synthetic route

4-Nitroanisole Consensus Reports

4-Nitroanisole Specification

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