Product Name

  • Name

    4,5-Dimethoxy-2-nitrobenzoic acid

  • EINECS 225-657-2
  • CAS No. 4998-07-6
  • Article Data33
  • CAS DataBase
  • Density 1.403 g/cm3
  • Solubility Insoluble in water. Soluble in DMSO and methanol. Solubility in hot 1mol/L NaOH (almost transparency).
  • Melting Point 195-197 °C(lit.)
  • Formula C9H9NO6
  • Boiling Point 409.5 °C at 760 mmHg
  • Molecular Weight 227.174
  • Flash Point 201.4 °C
  • Transport Information
  • Appearance Yellow crystalline powder
  • Safety 26-37/39
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 4998-07-6 (4,5-Dimethoxy-2-nitrobenzoic acid)
  • Hazard Symbols IrritantXi
  • Synonyms Veratricacid, 6-nitro- (6CI,7CI,8CI);2-Nitro-4,5-dimethoxybenzoic acid;3,4-Dimethoxy-6-nitrobenzoic acid;6-Nitroveratric acid;
  • PSA 101.58000
  • LogP 1.83340

Synthetic route

1-(6-amino-2-bromo-3,4-dimethoxyphenyl)ethan-1-one

1-(6-amino-2-bromo-3,4-dimethoxyphenyl)ethan-1-one

4,5-dimethoxy-2-nitro-benzoic acid
4998-07-6

4,5-dimethoxy-2-nitro-benzoic acid

Conditions
ConditionsYield
Stage #1: 1-(6-amino-2-bromo-3,4-dimethoxyphenyl)ethan-1-one With 1 ,5-pentanediol for 0.666667h;
Stage #2: With nickel(III) oxide; potassium carbonate at 70℃; for 0.666667h; pH=9; Temperature; pH-value;
96%
2-nitroveratraldehyde
20357-25-9

2-nitroveratraldehyde

4,5-dimethoxy-2-nitro-benzoic acid
4998-07-6

4,5-dimethoxy-2-nitro-benzoic acid

Conditions
ConditionsYield
With sodium chlorite; dihydrogen peroxide; acetic acid In methanol; water at 50℃; Solvent; Temperature; Concentration; Reagent/catalyst;93%
Stage #1: 6-nitroveratraldehyde With potassium dihydrogenphosphate In water; acetonitrile
Stage #2: With sodium chlorite In water; acetonitrile at 25 - 35℃;
88%
With potassium permanganate; sodium hydroxide for 7h;83%
Veratric acid
93-07-2

Veratric acid

4,5-dimethoxy-2-nitro-benzoic acid
4998-07-6

4,5-dimethoxy-2-nitro-benzoic acid

Conditions
ConditionsYield
With nitric acid; acetic acid at 90℃; under 11251.1 Torr; for 0.0833333h; Temperature; Pressure; Flow reactor;87.6%
With nitric acid In water at 60℃; for 6h; Cooling with ice;77%
With nitric acid at 60℃; for 6.5h; Cooling with ice;77%
3-amino-4,5-dimethoxy-2-nitro-benzoic acid

3-amino-4,5-dimethoxy-2-nitro-benzoic acid

4,5-dimethoxy-2-nitro-benzoic acid
4998-07-6

4,5-dimethoxy-2-nitro-benzoic acid

1-(4,5-dimethoxy-2-nitro-benzyl)-3,4-dihydro-isoquinoline

1-(4,5-dimethoxy-2-nitro-benzyl)-3,4-dihydro-isoquinoline

4,5-dimethoxy-2-nitro-benzoic acid
4998-07-6

4,5-dimethoxy-2-nitro-benzoic acid

Conditions
ConditionsYield
Oxydation;
Veratric acid
93-07-2

Veratric acid

A

3,4-dimethoxynitrobenzene
709-09-1

3,4-dimethoxynitrobenzene

B

4,5-dimethoxy-2-nitro-benzoic acid
4998-07-6

4,5-dimethoxy-2-nitro-benzoic acid

Conditions
ConditionsYield
With nitric acid
2-(4,5-dimethoxy-2-nitro-phenyl)-3,5,7-trimethoxy-chromen-4-one
861571-93-9

2-(4,5-dimethoxy-2-nitro-phenyl)-3,5,7-trimethoxy-chromen-4-one

permanganate solution

permanganate solution

4,5-dimethoxy-2-nitro-benzoic acid
4998-07-6

4,5-dimethoxy-2-nitro-benzoic acid

2-(4,5-dimethoxy-2-nitro-phenyl)-3-hydroxy-7-methoxy-chroman-5,8-quinone

2-(4,5-dimethoxy-2-nitro-phenyl)-3-hydroxy-7-methoxy-chroman-5,8-quinone

potassium permanganate

potassium permanganate

4,5-dimethoxy-2-nitro-benzoic acid
4998-07-6

4,5-dimethoxy-2-nitro-benzoic acid

nitric acid
7697-37-2

nitric acid

Veratric acid
93-07-2

Veratric acid

A

3,4-dimethoxynitrobenzene
709-09-1

3,4-dimethoxynitrobenzene

B

4,5-dimethoxy-2-nitro-benzoic acid
4998-07-6

4,5-dimethoxy-2-nitro-benzoic acid

diazotized 6-nitro-5-amino-3.4-dimethoxy-benzoic acid

diazotized 6-nitro-5-amino-3.4-dimethoxy-benzoic acid

4,5-dimethoxy-2-nitro-benzoic acid
4998-07-6

4,5-dimethoxy-2-nitro-benzoic acid

Conditions
ConditionsYield
With ethanol
nitrocatechonetrimethyl ether

nitrocatechonetrimethyl ether

4,5-dimethoxy-2-nitro-benzoic acid
4998-07-6

4,5-dimethoxy-2-nitro-benzoic acid

Conditions
ConditionsYield
With potassium permanganate
nitropapaverine iodomethylate

nitropapaverine iodomethylate

4,5-dimethoxy-2-nitro-benzoic acid
4998-07-6

4,5-dimethoxy-2-nitro-benzoic acid

Conditions
ConditionsYield
With potassium permanganate; water
14-nitro-N-methylpapaverinium iodide
16620-92-1

14-nitro-N-methylpapaverinium iodide

aqueous potassium permanganate

aqueous potassium permanganate

4,5-dimethoxy-2-nitro-benzoic acid
4998-07-6

4,5-dimethoxy-2-nitro-benzoic acid

Conditions
ConditionsYield
at 100℃;
(4,5-dimethoxy-2-methyl-3-nitro-phenyl)-hydrazine
861363-56-6

(4,5-dimethoxy-2-methyl-3-nitro-phenyl)-hydrazine

copper(II) sulfate
7758-99-8

copper(II) sulfate

acetic acid
64-19-7

acetic acid

A

4,5-dimethoxy-2-nitro-benzoic acid
4998-07-6

4,5-dimethoxy-2-nitro-benzoic acid

B

3,4-Dimethoxy-2-nitro-benzoic acid
79025-28-8

3,4-Dimethoxy-2-nitro-benzoic acid

Conditions
ConditionsYield
Oxydation des entstandenen Oels mit Permanganat;
methyl 4,5-dimethoxy-2-nitrobenzoate
26791-93-5

methyl 4,5-dimethoxy-2-nitrobenzoate

4,5-dimethoxy-2-nitro-benzoic acid
4998-07-6

4,5-dimethoxy-2-nitro-benzoic acid

Conditions
ConditionsYield
With sodium hydroxide In tetrahydrofuran
With sodium hydroxide In methanol
Stage #1: methyl 4,5-dimethoxy-2-nitrobenzoate With potassium hydroxide; water at 0 - 70℃; Heating / reflux;
Stage #2: With acetic acid In water at 20℃; pH=6.6;
4-hydroxy-3-methoxybenzoic acid methyl ester
3943-74-6

4-hydroxy-3-methoxybenzoic acid methyl ester

4,5-dimethoxy-2-nitro-benzoic acid
4998-07-6

4,5-dimethoxy-2-nitro-benzoic acid

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: K2CO3 / acetone / Heating
2: HNO3; acetic acid / 50 - 60 °C
3: NaOH / tetrahydrofuran
View Scheme
3-methoxy-4-hydroxybenzoic acid
121-34-6

3-methoxy-4-hydroxybenzoic acid

4,5-dimethoxy-2-nitro-benzoic acid
4998-07-6

4,5-dimethoxy-2-nitro-benzoic acid

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: H2SO4 / Heating
2: K2CO3 / acetone / Heating
3: HNO3; acetic acid / 50 - 60 °C
4: NaOH / tetrahydrofuran
View Scheme
methyl 3,4-dimethoxybenzoate
2150-38-1

methyl 3,4-dimethoxybenzoate

4,5-dimethoxy-2-nitro-benzoic acid
4998-07-6

4,5-dimethoxy-2-nitro-benzoic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: HNO3; acetic acid / 50 - 60 °C
2: NaOH / tetrahydrofuran
View Scheme
vanillin
121-33-5

vanillin

4,5-dimethoxy-2-nitro-benzoic acid
4998-07-6

4,5-dimethoxy-2-nitro-benzoic acid

Conditions
ConditionsYield
Multi-step reaction with 3 steps
3: KMnO4
View Scheme
3,4-dimethoxy-benzaldehyde
120-14-9

3,4-dimethoxy-benzaldehyde

4,5-dimethoxy-2-nitro-benzoic acid
4998-07-6

4,5-dimethoxy-2-nitro-benzoic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
2: KMnO4
View Scheme
Multi-step reaction with 2 steps
1: nitric acid / 5 - 10 °C
2: KOH-solution; KMnO4
View Scheme
Multi-step reaction with 2 steps
1: nitric acid / 1 h / 20 - 25 °C
2: sodium hydroxide; potassium permanganate / 7 h
View Scheme
1,2-dimethoxy-4-(2-propenyl)benzene
93-15-2

1,2-dimethoxy-4-(2-propenyl)benzene

4,5-dimethoxy-2-nitro-benzoic acid
4998-07-6

4,5-dimethoxy-2-nitro-benzoic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: water; KMnO4 / 80 - 90 °C
2: nitric acid
View Scheme
(3,4-dimethoxyphenyl)methanol
93-03-8

(3,4-dimethoxyphenyl)methanol

4,5-dimethoxy-2-nitro-benzoic acid
4998-07-6

4,5-dimethoxy-2-nitro-benzoic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: acetic anhydride; nitric acid / 6 h / 0 - 20 °C
2: potassium permanganate; copper(ll) sulfate pentahydrate; potassium hydroxide / benzene / 10 h / Reflux
View Scheme
6-nitroveratryl alcohol
1016-58-6

6-nitroveratryl alcohol

4,5-dimethoxy-2-nitro-benzoic acid
4998-07-6

4,5-dimethoxy-2-nitro-benzoic acid

Conditions
ConditionsYield
With potassium permanganate; copper(ll) sulfate pentahydrate; potassium hydroxide In benzene for 10h; Reflux;13 g
4,5-dimethoxy-2-nitro-benzoic acid
4998-07-6

4,5-dimethoxy-2-nitro-benzoic acid

4,5-dimethoxy-2-nitrobenzoyl chloride
29568-78-3

4,5-dimethoxy-2-nitrobenzoyl chloride

Conditions
ConditionsYield
With thionyl chloride In toluene for 3h; Heating;100%
With phosphorus pentachloride
With thionyl chloride; chloroform
4,5-dimethoxy-2-nitro-benzoic acid
4998-07-6

4,5-dimethoxy-2-nitro-benzoic acid

2-(4-aminophenyl)-2-methylpropionitrile
115279-57-7

2-(4-aminophenyl)-2-methylpropionitrile

N-[4-(cyano-dimethyl-methyl)-phenyl]-4,5-dimethoxy-2-nitro-benzamide
1067193-04-7

N-[4-(cyano-dimethyl-methyl)-phenyl]-4,5-dimethoxy-2-nitro-benzamide

Conditions
ConditionsYield
Stage #1: 4,5-dimethoxy-2-nitro-benzoic acid With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃; for 1h;
Stage #2: 2-(4-aminophenyl)-2-methylpropionitrile With triethylamine In dichloromethane at 20℃;
100%
4,5-dimethoxy-2-nitro-benzoic acid
4998-07-6

4,5-dimethoxy-2-nitro-benzoic acid

3,4-dimethoxynitrobenzene
709-09-1

3,4-dimethoxynitrobenzene

Conditions
ConditionsYield
With silver carbonate In dimethyl sulfoxide at 120℃; for 16h;100%
With copper(l) iodide; triethylamine In dimethyl sulfoxide at 140℃; under 760.051 Torr; for 20h; Catalytic behavior; Reagent/catalyst; Solvent; Temperature; Inert atmosphere; Schlenk technique;95%
4,5-dimethoxy-2-nitro-benzoic acid
4998-07-6

4,5-dimethoxy-2-nitro-benzoic acid

potassium 2-nitro-4,5-dimethoxybenzoate
1444018-10-3

potassium 2-nitro-4,5-dimethoxybenzoate

Conditions
ConditionsYield
With potassium tert-butylate In ethanol at 20℃; for 3h; Inert atmosphere;100%
4,5-dimethoxy-2-nitro-benzoic acid
4998-07-6

4,5-dimethoxy-2-nitro-benzoic acid

2-nitro-4-methoxy-5-hydroxybenzoic acid
31839-20-0

2-nitro-4-methoxy-5-hydroxybenzoic acid

Conditions
ConditionsYield
Stage #1: 4,5-dimethoxy-2-nitro-benzoic acid With sodium hydroxide; water at 100℃; for 3h;
Stage #2: With hydrogenchloride In water at 0℃; pH=< 2;
99%
With water; sodium hydroxide at 100℃; for 3h; Inert atmosphere;99%
With water; sodium hydroxide at 100℃; for 6h;97.6%
4,5-dimethoxy-2-nitro-benzoic acid
4998-07-6

4,5-dimethoxy-2-nitro-benzoic acid

2-Amino-4,5-dimethoxybenzoic acid
5653-40-7

2-Amino-4,5-dimethoxybenzoic acid

Conditions
ConditionsYield
With palladium 10% on activated carbon; hydrogen In methanol at 20℃; under 7600.51 Torr; for 6h;97%
With palladium 10% on activated carbon; hydrogen In methanol at 20℃; for 24h;92%
With hydrazine hydrate In ethanol at 60℃; for 5h; Sealed tube; Green chemistry; chemoselective reaction;87%
4,5-dimethoxy-2-nitro-benzoic acid
4998-07-6

4,5-dimethoxy-2-nitro-benzoic acid

2,2,2,-trichloroethoxycarbonyl azide

2,2,2,-trichloroethoxycarbonyl azide

2,2,2-trichloroethyl (4,5-dimethoxy-2-nitrophenyl)carbamate

2,2,2-trichloroethyl (4,5-dimethoxy-2-nitrophenyl)carbamate

Conditions
ConditionsYield
With dmap; copper diacetate In acetonitrile at 100℃; for 6h; Schlenk technique; Sealed tube; Inert atmosphere;94%
4,5-dimethoxy-2-nitro-benzoic acid
4998-07-6

4,5-dimethoxy-2-nitro-benzoic acid

N,N-dimethyl-formamide
68-12-2, 33513-42-7

N,N-dimethyl-formamide

N,N-dimethyl-4,5-dimethoxy-2-nitrobenzamide
349411-81-0

N,N-dimethyl-4,5-dimethoxy-2-nitrobenzamide

Conditions
ConditionsYield
With trichlorophosphate at 120℃; for 1h; Sealed tube;93%
With trichlorophosphate at 120℃; for 1h;93%
4,5-dimethoxy-2-nitro-benzoic acid
4998-07-6

4,5-dimethoxy-2-nitro-benzoic acid

4,5-dimethoxy-2-nitrobenzamide
4959-60-8

4,5-dimethoxy-2-nitrobenzamide

Conditions
ConditionsYield
Stage #1: 4,5-dimethoxy-2-nitro-benzoic acid With thionyl chloride for 0.833333h; Heating;
Stage #2: With ammonium hydroxide
88.5%
Stage #1: 4,5-dimethoxy-2-nitro-benzoic acid With triethylamine; Diphenylphosphinic chloride In chloroform
Stage #2: With ammonia
Multi-step reaction with 2 steps
1: SOCl2
2: NH4OH
View Scheme
4,5-dimethoxy-2-nitro-benzoic acid
4998-07-6

4,5-dimethoxy-2-nitro-benzoic acid

α-bromoacetophenone
70-11-1

α-bromoacetophenone

4,5-dimethoxy-2-nitro-benzoic acid 2-oxo-2-phenyl-ethyl ester

4,5-dimethoxy-2-nitro-benzoic acid 2-oxo-2-phenyl-ethyl ester

Conditions
ConditionsYield
With triethylamine In acetone for 1.5h;86%
4,5-dimethoxy-2-nitro-benzoic acid
4998-07-6

4,5-dimethoxy-2-nitro-benzoic acid

tetraethylammonium hydroxide
77-98-5

tetraethylammonium hydroxide

tetraethylammonium 4,5-dimethoxy-2-nitrobenzoate

tetraethylammonium 4,5-dimethoxy-2-nitrobenzoate

Conditions
ConditionsYield
In methanol; water at 20℃;86%
4,5-dimethoxy-2-nitro-benzoic acid
4998-07-6

4,5-dimethoxy-2-nitro-benzoic acid

(2S,4R)-4-hydroxy-2-proline methyl ester 4-toluenesulfonate

(2S,4R)-4-hydroxy-2-proline methyl ester 4-toluenesulfonate

1-(4,5-dimethoxy-2-nitrobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid methyl ester
54431-30-0

1-(4,5-dimethoxy-2-nitrobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid methyl ester

Conditions
ConditionsYield
Stage #1: 4,5-dimethoxy-2-nitro-benzoic acid With oxalyl dichloride; N,N-dimethyl-formamide In dichloromethane at 20℃; for 16h;
Stage #2: (2S,4R)-4-hydroxy-2-proline methyl ester 4-toluenesulfonate With triethylamine In dichloromethane at -20 - 20℃; for 16h;
85%
With oxalyl dichloride; TEA In dichloromethane; N,N-dimethyl-formamide at 20℃;57%
styrene
100-42-5

styrene

4,5-dimethoxy-2-nitro-benzoic acid
4998-07-6

4,5-dimethoxy-2-nitro-benzoic acid

4,5-dimethoxy-2-nitrostilbene

4,5-dimethoxy-2-nitrostilbene

Conditions
ConditionsYield
With silver carbonate; palladium(II) trifluoroacetate In dimethyl sulfoxide; N,N-dimethyl-formamide at 120℃; for 3h; Heck olefination;85%
oxalyl dichloride
79-37-8

oxalyl dichloride

(2S)(4R)-N-[4-benzyloxy-5-methoxy-2-(2',2',2'-trichloroethoxy)carbonyl]-2-(tert-butyldimethylsilyloxymethyl) -4-hydroxypyrrolidine

(2S)(4R)-N-[4-benzyloxy-5-methoxy-2-(2',2',2'-trichloroethoxy)carbonyl]-2-(tert-butyldimethylsilyloxymethyl) -4-hydroxypyrrolidine

4,5-dimethoxy-2-nitro-benzoic acid
4998-07-6

4,5-dimethoxy-2-nitro-benzoic acid

N-(4,5-dimethoxy-2-nitrobenzoyl)hydroxyproline Methyl Ester

N-(4,5-dimethoxy-2-nitrobenzoyl)hydroxyproline Methyl Ester

Conditions
ConditionsYield
With triethanolamine; N,N-dimethyl-formamide In 4-(dicyanomethylene)-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran85%
4,5-dimethoxy-2-nitro-benzoic acid
4998-07-6

4,5-dimethoxy-2-nitro-benzoic acid

Diphenyliodonium triflate
66003-76-7

Diphenyliodonium triflate

4,5-dimethoxy-2-nitrobiphenyl
92200-31-2

4,5-dimethoxy-2-nitrobiphenyl

Conditions
ConditionsYield
With silver carbonate; bis[2-(diphenylphosphino)phenyl] ether; palladium dichloride In dimethyl sulfoxide at 150℃; for 1h;85%
4,5-dimethoxy-2-nitro-benzoic acid
4998-07-6

4,5-dimethoxy-2-nitro-benzoic acid

1-chloro-4,5-dimethoxy-2-nitrobenzene
3899-65-8

1-chloro-4,5-dimethoxy-2-nitrobenzene

Conditions
ConditionsYield
With oxygen; silver carbonate; potassium hydroxide; copper dichloride In dimethyl sulfoxide; N,N-dimethyl-formamide at 130 - 140℃;85%
With copper(l) iodide; oxygen; copper(l) chloride In dimethyl sulfoxide at 160℃; under 760.051 Torr; for 30h; Schlenk technique; Sealed tube;65%
With 2.9-dimethyl-1,10-phenanthroline; oxygen; copper (I) acetate; silver sulfate; sodium chloride In dimethyl sulfoxide at 160℃; for 24h; Schlenk technique;52%
With 2.9-dimethyl-1,10-phenanthroline; oxygen; copper diacetate; silver sulfate; sodium chloride In dimethyl sulfoxide at 160℃; under 760.051 Torr; for 20h; Schlenk technique;52%
iodobenzene
591-50-4

iodobenzene

4,5-dimethoxy-2-nitro-benzoic acid
4998-07-6

4,5-dimethoxy-2-nitro-benzoic acid

4,5-dimethoxy-2-nitrobiphenyl
92200-31-2

4,5-dimethoxy-2-nitrobiphenyl

Conditions
ConditionsYield
With 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; N,N-dimethyl-aniline; silver carbonate; palladium dichloride at 150℃; for 2h;82%
4,5-dimethoxy-2-nitro-benzoic acid
4998-07-6

4,5-dimethoxy-2-nitro-benzoic acid

allyl alcohol
107-18-6

allyl alcohol

allyl 4,5-dimethoxy-2-nitrobenzoate

allyl 4,5-dimethoxy-2-nitrobenzoate

Conditions
ConditionsYield
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 20℃; Steglich Esterification;82%
4,5-dimethoxy-2-nitro-benzoic acid
4998-07-6

4,5-dimethoxy-2-nitro-benzoic acid

3-hydroxy-2-methyl-1-propene
513-42-8

3-hydroxy-2-methyl-1-propene

2-methylallyl 4,5-dimethoxy-2-nitrobenzoate
1286732-04-4

2-methylallyl 4,5-dimethoxy-2-nitrobenzoate

Conditions
ConditionsYield
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 20℃; Steglich Esterification;82%
2-bromobenzoic acid methyl ester
610-94-6

2-bromobenzoic acid methyl ester

4,5-dimethoxy-2-nitro-benzoic acid
4998-07-6

4,5-dimethoxy-2-nitro-benzoic acid

2,3-dimethoxydibenzopyran-6-one
108012-00-6

2,3-dimethoxydibenzopyran-6-one

Conditions
ConditionsYield
With palladium(II) acetylacetonate; potassium carbonate; bis[2-(diphenylphosphino)phenyl] ether; copper(l) chloride In 1-methyl-pyrrolidin-2-one at 165℃; for 16h; Inert atmosphere; Molecular sieve; chemoselective reaction;81%
4,5-dimethoxy-2-nitro-benzoic acid
4998-07-6

4,5-dimethoxy-2-nitro-benzoic acid

dioctyltin(IV) oxide
870-08-6

dioctyltin(IV) oxide

n-Oct2Sn(4,5-dimethoxy-2-nitrobenzoate)2
1229818-23-8

n-Oct2Sn(4,5-dimethoxy-2-nitrobenzoate)2

Conditions
ConditionsYield
In toluene byproducts: H2O; Stoich. amounts of HL and n-Oct2SO were mixed in toluene, reflux for 6-7h, H2O was removed using a Dean-Stark apparatus; Toluene was evapd. under reduced pressure, mass was crystd. from CHCl3:acetone (1:1); elem. anal.;80%
4,5-dimethoxy-2-nitro-benzoic acid
4998-07-6

4,5-dimethoxy-2-nitro-benzoic acid

tributyltin chloride
1461-22-9

tributyltin chloride

n-Bu3Sn(4,5-dimethoxy-2-nitrobenzoate)
1229818-10-3

n-Bu3Sn(4,5-dimethoxy-2-nitrobenzoate)

Conditions
ConditionsYield
With Et3N In chloroform byproducts: Et3NHCl; Et3N (1 mmol) was added to dissolved in solvent HL (1 mmol), mixt. was refluxed 30 min, 1 mmol n-Bu3SnCl was added, solution was refluxed for 4-7 h, mixt. was kept at 25°C overnight; Et3NHCl was filtered off, solvent was evapd. under redused pressure, mass was crystd. from CHCL3:n-hexane (1:1); elem. anal;80%
4,5-dimethoxy-2-nitro-benzoic acid
4998-07-6

4,5-dimethoxy-2-nitro-benzoic acid

triphenyltin chloride
639-58-7

triphenyltin chloride

Ph3Sn(4,5-dimethoxy-2-nitrobenzoate)
1229818-12-5

Ph3Sn(4,5-dimethoxy-2-nitrobenzoate)

Conditions
ConditionsYield
With Et3N In chloroform byproducts: Et3NHCl; Et3N (1 mmol) was added to dissolved in solvent HL (1 mmol), mixt. was refluxed 30 min, 1 mmol n-Bu3SnCl was added, solution was refluxed for 4-7 h, mixt. was kept at 25°C overnight.; Et3NHCl was filtered off, solvent was evapd. under redused pressure, mass was crystd. from CHCl3:n-hexane (1:1); elem. anal;80%
4,5-dimethoxy-2-nitro-benzoic acid
4998-07-6

4,5-dimethoxy-2-nitro-benzoic acid

4,4',5,5'-tetramethoxy-2,2'-dinitro-1,1'-biphenyl
22296-40-8

4,4',5,5'-tetramethoxy-2,2'-dinitro-1,1'-biphenyl

Conditions
ConditionsYield
With triphenylphosphine; silver carbonate; palladium dichloride In dimethyl sulfoxide at 130℃; for 6h; Inert atmosphere;80%
(E)-p-methoxy-cinnamyl alcohol
53484-50-7

(E)-p-methoxy-cinnamyl alcohol

4,5-dimethoxy-2-nitro-benzoic acid
4998-07-6

4,5-dimethoxy-2-nitro-benzoic acid

4-methoxycinnamyl 4,5-dimethoxy-2-nitrobenzoate
1620682-50-9

4-methoxycinnamyl 4,5-dimethoxy-2-nitrobenzoate

Conditions
ConditionsYield
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 20℃; Steglich Esterification;80%
(2S,4R)-2-t-butyldimethylsilyloxymethyl-4-oxyacetylpyrrolidine
864755-03-3

(2S,4R)-2-t-butyldimethylsilyloxymethyl-4-oxyacetylpyrrolidine

4,5-dimethoxy-2-nitro-benzoic acid
4998-07-6

4,5-dimethoxy-2-nitro-benzoic acid

(2S)(4R)-N-(4,5-dimethoxy-2-nitrobenzoyl)-2-(tert-butyldimethylsilyloxymethyl)-4-oxyacetylpyrrolidine
864755-12-4

(2S)(4R)-N-(4,5-dimethoxy-2-nitrobenzoyl)-2-(tert-butyldimethylsilyloxymethyl)-4-oxyacetylpyrrolidine

Conditions
ConditionsYield
Stage #1: 4,5-dimethoxy-2-nitro-benzoic acid With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In DMF (N,N-dimethyl-formamide); dichloromethane at 0 - 20℃; for 1h;
Stage #2: (2S,4R)-2-t-butyldimethylsilyloxymethyl-4-oxyacetylpyrrolidine In dichloromethane at 20 - 55℃; for 18h;
79.9%
para-iodoanisole
696-62-8

para-iodoanisole

4,5-dimethoxy-2-nitro-benzoic acid
4998-07-6

4,5-dimethoxy-2-nitro-benzoic acid

4',4,5-trimethoxy-2-nitrobiphenyl

4',4,5-trimethoxy-2-nitrobiphenyl

Conditions
ConditionsYield
With triphenyl-arsane; silver carbonate; palladium dichloride In dimethyl sulfoxide at 150℃; for 6h;79%
With 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; N,N-dimethyl-aniline; silver carbonate; palladium dichloride at 150℃; for 2h;72%

4,5-Dimethoxy-2-nitrobenzoic acid Chemical Properties

Molecule structure of 4,5-Dimethoxy-2-nitrobenzoic acid (CAS NO.4998-07-6) :

IUPAC Name: 4,5-dimethoxy-2-nitrobenzoic acid 
Molecular Weight: 227.17086 g/mol
Molecular Formula: C9H9NO6
Density: 1.403 g/cm3
Melting Point: 195-197 °C(lit.)
Boiling Point: 409.5 °C at 760 mmHg 
Flash Point: 201.4 °C 
Appreance: yellow crystalline powder
Molar Volume: 161.8 cm3 
Polarizability: 21.04*10-24 cm3
Surface Tension: 53.7 dyne/cm 
Enthalpy of Vaporization: 69.77 kJ/mol
Vapour Pressure: 1.94E-07 mmHg at 25 °C 
log P (octanol-water): 0.990
Water Solubility: 4.00E+04 mg/L 
Atmospheric OH Rate Constant: 2.81E-12 cm3/molecule-sec
XLogP3-AA: 1.2
H-Bond Donor: 1
H-Bond Acceptor: 6
Rotatable Bond Count: 3
Exact Mass: 227.042987
MonoIsotopic Mass: 227.042987
Topological Polar Surface Area: 98.9
Heavy Atom Count: 16
Complexity: 276
Canonical SMILES: COC1=C(C=C(C(=C1)C(=O)O)[N+](=O)[O-])OC
InChI: InChI=1S/C9H9NO6/c1-15-7-3-5(9(11)12)6(10(13)14)4-8(7)16-2/h3-4H,1-2H3,(H,11,12)
InChIKey: WWCMFGBGMJAJRX-UHFFFAOYSA-N
EINECS: 225-657-2
Product Categories: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Organic acids; Aromatics; C9; Carbonyl Compounds; Carboxylic Acids

4,5-Dimethoxy-2-nitrobenzoic acid Uses

 4,5-Dimethoxy-2-nitrobenzoic acid (CAS NO.4998-07-6) is used as pharmaceutical intermediate, mainly used to be prazosin hydrochloride intermediate.

4,5-Dimethoxy-2-nitrobenzoic acid Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 36/37/38 
R36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements: 26-37/39 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
S37/39: Wear suitable gloves and eye/face protection
WGK Germany: 3

4,5-Dimethoxy-2-nitrobenzoic acid Specification

 4,5-Dimethoxy-2-nitrobenzoic acid (CAS NO.4998-07-6)  is also called 6-Nitroveratriceacid ; Rarechem AL BO 1523 ; 2-Nitro-4,5-dimethoxybenzoic acid ; 6-Nitroveratric acid ; 3,4-Dimethoxy-6-nitrobenzoic acid ; 6-Nitroveratricacid,99% .

Post buying leads

About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia

Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog

©2008 LookChem.com,License: ICP

NO.:Zhejiang16009103

complaints:service@lookchem.com Desktop View