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110964-79-9

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110964-79-9 Usage

Chemical Properties

Pale Yellow Solid

Uses

4-Methylsulfonyl-2-nitrobenzoic acid is a metabolite of Mesotrione.

Check Digit Verification of cas no

The CAS Registry Mumber 110964-79-9 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,0,9,6 and 4 respectively; the second part has 2 digits, 7 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 110964-79:
(8*1)+(7*1)+(6*0)+(5*9)+(4*6)+(3*4)+(2*7)+(1*9)=119
119 % 10 = 9
So 110964-79-9 is a valid CAS Registry Number.
InChI:InChI=1/C8H7NO6S/c1-16(14,15)5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3,(H,10,11)

110964-79-9SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-Nitro-4-methylsulfonylbenzoic acid

1.2 Other means of identification

Product number -
Other names 4-Methylsulphonyl-2-nitrobenzoic acid

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:110964-79-9 SDS

110964-79-9Synthetic route

2-nitro-4-methylsulfonyl benzoic acid dicyclohexyl amine salt

2-nitro-4-methylsulfonyl benzoic acid dicyclohexyl amine salt

4-methanesulfonyl-2-nitro-benzoic acid
110964-79-9

4-methanesulfonyl-2-nitro-benzoic acid

Conditions
ConditionsYield
With potassium hydroxide In water pH=13; Reagent/catalyst;98.45%
With potassium hydroxide In water pH=3 - 13;44.1 g
1-methyl-4-(methylsulfonyl)-2-nitrobenzene
1671-49-4

1-methyl-4-(methylsulfonyl)-2-nitrobenzene

4-methanesulfonyl-2-nitro-benzoic acid
110964-79-9

4-methanesulfonyl-2-nitro-benzoic acid

Conditions
ConditionsYield
With sulfuric acid; oxygen; nitric acid; vanadia at 140℃; for 11h; Temperature;98%
With sulfuric acid; oxygen; nitric acid; vanadia at 138 - 140℃; under 37.5038 Torr; Catalytic behavior; Temperature; Autoclave;96.7%
With oxygen; nitric acid; acetic acid; 2,6-dihydroxypyrrolo[3,4-f]isoindolo-1,3,5,7(2H,6H)tetrone at 150℃; under 37503.8 Torr; for 5h; Catalytic behavior; Reagent/catalyst; Temperature; Pressure; Autoclave;94.9%
Methyl p-tolyl sulfone
3185-99-7

Methyl p-tolyl sulfone

4-methanesulfonyl-2-nitro-benzoic acid
110964-79-9

4-methanesulfonyl-2-nitro-benzoic acid

Conditions
ConditionsYield
Stage #1: Methyl p-tolyl sulfone With nitric acid In dichloromethane at 10℃; Large scale;
Stage #2: With vanadium(V) oxide; sulfuric acid at 140℃; Large scale;
98%
Stage #1: Methyl p-tolyl sulfone With sulfuric acid for 4.5h; Large scale;
Stage #2: With nitric acid; vanadia In water at 142 - 145℃; for 38.5h; Time; Large scale;
90.2%
Stage #1: Methyl p-tolyl sulfone With sulfuric acid; nitric acid In water for 6.1h; Heating; Industrial scale;
Stage #2: With boron nitride; vanadia In water at 142 - 146℃; for 29h; Temperature; Industrial scale;
90.77%
2-nitro-4-methylsulfonyl benzoic acid n-hexylamine salt

2-nitro-4-methylsulfonyl benzoic acid n-hexylamine salt

4-methanesulfonyl-2-nitro-benzoic acid
110964-79-9

4-methanesulfonyl-2-nitro-benzoic acid

Conditions
ConditionsYield
With potassium hydroxide In water pH=13; Reagent/catalyst;98%
With potassium hydroxide In water pH=3 - 13;86.2 g
methyl 2-cyano-2-(4-(methylsulfonyl)-2-nitrophenyl)acetate

methyl 2-cyano-2-(4-(methylsulfonyl)-2-nitrophenyl)acetate

4-methanesulfonyl-2-nitro-benzoic acid
110964-79-9

4-methanesulfonyl-2-nitro-benzoic acid

Conditions
ConditionsYield
With dihydrogen peroxide; potassium hydroxide In water at 40℃; for 2h;97%
2-nitro-4-methylsulfonyl benzoic acid n-propylamine salt

2-nitro-4-methylsulfonyl benzoic acid n-propylamine salt

4-methanesulfonyl-2-nitro-benzoic acid
110964-79-9

4-methanesulfonyl-2-nitro-benzoic acid

Conditions
ConditionsYield
With potassium carbonate96.5%
With potassium carbonate In water Heating; Further stages;84.9 g
4-(methylsulfonyl)-2-nitrobenzonitrile

4-(methylsulfonyl)-2-nitrobenzonitrile

4-methanesulfonyl-2-nitro-benzoic acid
110964-79-9

4-methanesulfonyl-2-nitro-benzoic acid

Conditions
ConditionsYield
With sulfuric acid; acetic acid In water at 100℃; for 6h;93%
1-methyl-4-(methylsulfonyl)-2-nitrobenzene
1671-49-4

1-methyl-4-(methylsulfonyl)-2-nitrobenzene

acetic acid
64-19-7

acetic acid

4-methanesulfonyl-2-nitro-benzoic acid
110964-79-9

4-methanesulfonyl-2-nitro-benzoic acid

Conditions
ConditionsYield
With 1,1,2,2-tetrabromoethane; cobalt(II) acetate; manganese(III) triacetate dihydrate In water at 210℃; under 22801.5 Torr; for 3h; Reagent/catalyst; Solvent; Temperature; Pressure; Reflux;92%
diethyl 2-nitro-4-methanesulfonylphenylmalonate

diethyl 2-nitro-4-methanesulfonylphenylmalonate

4-methanesulfonyl-2-nitro-benzoic acid
110964-79-9

4-methanesulfonyl-2-nitro-benzoic acid

Conditions
ConditionsYield
With dihydrogen peroxide; sodium hydroxide In N,N-dimethyl-formamide at 80℃; for 2h;88%
2-nitro-4-methylsulfonyl benzoic acid triethylamine salt

2-nitro-4-methylsulfonyl benzoic acid triethylamine salt

4-methanesulfonyl-2-nitro-benzoic acid
110964-79-9

4-methanesulfonyl-2-nitro-benzoic acid

Conditions
ConditionsYield
With calcium hydroxide In water pH=12 - 13;87.9%
With calcium hydroxide pH=12 - 13;18.7 g
sodium bicarbona+and

sodium bicarbona+and

nitro-4-sulfinylbenzoic acid

nitro-4-sulfinylbenzoic acid

4-chlorosulfonyl-2-nitro-benzoyl chloride
130264-19-6

4-chlorosulfonyl-2-nitro-benzoyl chloride

sodium monochloroacetic acid
3926-62-3

sodium monochloroacetic acid

4-methanesulfonyl-2-nitro-benzoic acid
110964-79-9

4-methanesulfonyl-2-nitro-benzoic acid

Conditions
ConditionsYield
With sodium sulfite In water; ethyl acetate87%
4-chlorosulfonyl-2-nitro-benzoic acid
54090-40-3

4-chlorosulfonyl-2-nitro-benzoic acid

chloroacetic acid
79-11-8

chloroacetic acid

4-methanesulfonyl-2-nitro-benzoic acid
110964-79-9

4-methanesulfonyl-2-nitro-benzoic acid

Conditions
ConditionsYield
With sodium hydroxide; sodium hydrogencarbonate; sodium sulfite 1) H2O, 75 deg C, 1 h, 2) 105 deg C, 7 h, 3) reduction temperature 10-15 deg C; Yield given. Multistep reaction;
vanadium(V) oxide
788133-24-4

vanadium(V) oxide

1-methyl-4-(methylsulfonyl)-2-nitrobenzene
1671-49-4

1-methyl-4-(methylsulfonyl)-2-nitrobenzene

4-methanesulfonyl-2-nitro-benzoic acid
110964-79-9

4-methanesulfonyl-2-nitro-benzoic acid

Conditions
ConditionsYield
With nitric acid In sulfuric acid
vanadium(V) oxide
788133-24-4

vanadium(V) oxide

Methyl p-tolyl sulfone
3185-99-7

Methyl p-tolyl sulfone

4-methanesulfonyl-2-nitro-benzoic acid
110964-79-9

4-methanesulfonyl-2-nitro-benzoic acid

Conditions
ConditionsYield
In sulfuric acid; water
mesotrione
104206-82-8

mesotrione

A

2-amino-4-(methylsulfonyl)benzoic acid
393085-45-5

2-amino-4-(methylsulfonyl)benzoic acid

B

4-methanesulfonyl-2-nitro-benzoic acid
110964-79-9

4-methanesulfonyl-2-nitro-benzoic acid

Conditions
ConditionsYield
With TiO2 Degussa P25; oxygen In water pH=4; Kinetics; Mechanism; Reagent/catalyst; pH-value; Wavelength; UV-irradiation;
mesotrione
104206-82-8

mesotrione

A

2-amino-4-(methylsulfonyl)benzoic acid
393085-45-5

2-amino-4-(methylsulfonyl)benzoic acid

B

xanthene-1,9-dione-3,4-dihydro-6-methylsulfonyl

xanthene-1,9-dione-3,4-dihydro-6-methylsulfonyl

C

2-hydroxy-4-(methylsulfonyl)-2-nitrobenzoic acid
108153-42-0

2-hydroxy-4-(methylsulfonyl)-2-nitrobenzoic acid

D

4-methanesulfonyl-2-nitro-benzoic acid
110964-79-9

4-methanesulfonyl-2-nitro-benzoic acid

Conditions
ConditionsYield
With water; copper(l) chloride for 24h; pH=6.5; Kinetics; Irradiation;
1-fluoro-4-methanesulfonyl-2-nitrobenzene
453-72-5

1-fluoro-4-methanesulfonyl-2-nitrobenzene

cyanoacetic acid amide
107-91-5

cyanoacetic acid amide

4-methanesulfonyl-2-nitro-benzoic acid
110964-79-9

4-methanesulfonyl-2-nitro-benzoic acid

Conditions
ConditionsYield
Stage #1: 1-fluoro-4-methanesulfonyl-2-nitrobenzene; cyanoacetic acid amide With sodium hydroxide In dimethyl sulfoxide at 310℃; for 3h;
Stage #2: With dihydrogen peroxide In dimethyl sulfoxide for 3h;
111 g
Cyanoaceton
2469-99-0

Cyanoaceton

1-chloro-4-methanesulfonyl-2-nitrobenzene
97-07-4

1-chloro-4-methanesulfonyl-2-nitrobenzene

4-methanesulfonyl-2-nitro-benzoic acid
110964-79-9

4-methanesulfonyl-2-nitro-benzoic acid

Conditions
ConditionsYield
Stage #1: Cyanoaceton; 1-chloro-4-methanesulfonyl-2-nitrobenzene With sodium hydroxide In dimethyl sulfoxide at 60℃; for 1h;
Stage #2: With dihydrogen peroxide In dimethyl sulfoxide for 2h;
148.6 g
1-methyl-2-nitrobenzene
88-72-2

1-methyl-2-nitrobenzene

4-methanesulfonyl-2-nitro-benzoic acid
110964-79-9

4-methanesulfonyl-2-nitro-benzoic acid

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: chlorosulfonic acid / 3.5 h / 110 - 115 °C
1.2: 3 h / 60 - 65 °C
2.1: sodium sulfite; sodium carbonate / water / 3 h / 0 - 25 °C / pH 7.5 - 8
2.2: 14 h / 40 - 100 °C
3.1: vanadia; nitric acid / 135 - 160 °C
View Scheme
4-methyl-3-nitrobenzenesulfonyl chloride
616-83-1

4-methyl-3-nitrobenzenesulfonyl chloride

4-methanesulfonyl-2-nitro-benzoic acid
110964-79-9

4-methanesulfonyl-2-nitro-benzoic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: sodium sulfite; sodium carbonate / water / 3 h / 0 - 25 °C / pH 7.5 - 8
1.2: 14 h / 40 - 100 °C
2.1: vanadia; nitric acid / 135 - 160 °C
View Scheme
1-chloro-4-methanesulfonyl-2-nitrobenzene
97-07-4

1-chloro-4-methanesulfonyl-2-nitrobenzene

4-methanesulfonyl-2-nitro-benzoic acid
110964-79-9

4-methanesulfonyl-2-nitro-benzoic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: sodium hydroxide / dimethyl sulfoxide / 1 h / 60 °C
2: potassium hydroxide; dihydrogen peroxide / water / 2 h / 40 °C
View Scheme
p-toluenesulfonyl chloride
98-59-9

p-toluenesulfonyl chloride

4-methanesulfonyl-2-nitro-benzoic acid
110964-79-9

4-methanesulfonyl-2-nitro-benzoic acid

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: sodium hydrogencarbonate; sodium sulfite / water / 9 h / 75 °C
1.2: 4.5 h / 45 - 130 °C
2.1: sulfuric acid / 0.5 h / 20 °C
2.2: 10 h / 10 °C
3.1: vanadia; sulfuric acid; nitric acid / 13 h / 145 - 165 °C
View Scheme
4-bromoohenyl methyl sulfone
3466-32-8

4-bromoohenyl methyl sulfone

4-methanesulfonyl-2-nitro-benzoic acid
110964-79-9

4-methanesulfonyl-2-nitro-benzoic acid

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: nitric acid; sulfuric acid / 0.5 h / 0 - 10 °C
2: N,N-dimethyl-formamide / 6 h / 140 °C
3: sulfuric acid; acetic acid / water / 6 h / 100 °C
View Scheme
3-nitrophthalic acid
603-11-2

3-nitrophthalic acid

4-methanesulfonyl-2-nitro-benzoic acid
110964-79-9

4-methanesulfonyl-2-nitro-benzoic acid

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: chlorosulfonic acid / dichloromethane / 3 h / 0 - 20 °C
2: sodium carbonate; sodium sulfite / water / 1.5 h / 30 - 105 °C
3: N-benzyl-N,N,N-triethylammonium chloride; sodium hydrogencarbonate / water; N,N-dimethyl-formamide / 10 h / 80 °C
4: copper(I) oxide; triethylamine / 24 h / 50 °C
View Scheme
3-nitro-5-sulfonyl chloride phthalic acid

3-nitro-5-sulfonyl chloride phthalic acid

4-methanesulfonyl-2-nitro-benzoic acid
110964-79-9

4-methanesulfonyl-2-nitro-benzoic acid

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: sodium carbonate; sodium sulfite / water / 1.5 h / 30 - 105 °C
2: N-benzyl-N,N,N-triethylammonium chloride; sodium hydrogencarbonate / water; N,N-dimethyl-formamide / 10 h / 80 °C
3: copper(I) oxide; triethylamine / 24 h / 50 °C
View Scheme
3-nitro-5-methylsulfonyl phthalic acid

3-nitro-5-methylsulfonyl phthalic acid

4-methanesulfonyl-2-nitro-benzoic acid
110964-79-9

4-methanesulfonyl-2-nitro-benzoic acid

Conditions
ConditionsYield
With copper(I) oxide; triethylamine at 50℃; for 24h; Reagent/catalyst;222 g
4-methanesulfonyl-2-nitro-benzoic acid
110964-79-9

4-methanesulfonyl-2-nitro-benzoic acid

4-methylsulphonyl-2-nitrobenzoyl chloride
110964-80-2

4-methylsulphonyl-2-nitrobenzoyl chloride

Conditions
ConditionsYield
With thionyl chloride; N,N-dimethyl-formamide In 1,2-dichloro-ethane at 65 - 69℃; for 6.5h; Inert atmosphere;98.2%
4-methanesulfonyl-2-nitro-benzoic acid
110964-79-9

4-methanesulfonyl-2-nitro-benzoic acid

1,3-dimethyl-1H-pyrazol-5-ol
5203-77-0

1,3-dimethyl-1H-pyrazol-5-ol

(1,3-dimethyl-5-hydroxypyrazol-4-yl)-(4-methanesulfonyl-2-nitrophenyl)methanone

(1,3-dimethyl-5-hydroxypyrazol-4-yl)-(4-methanesulfonyl-2-nitrophenyl)methanone

Conditions
ConditionsYield
With triethylamine In 1,4-dioxane at 60℃; for 2h;97%
4-methanesulfonyl-2-nitro-benzoic acid
110964-79-9

4-methanesulfonyl-2-nitro-benzoic acid

1,3-dimethyl-1H-pyrazol-5-ol
5203-77-0

1,3-dimethyl-1H-pyrazol-5-ol

(1,3-dimethylpyrazole-5-yl methanesulfonate-4-yl)-(4-methanesulfonyl-2-nitrophenyl)methanone

(1,3-dimethylpyrazole-5-yl methanesulfonate-4-yl)-(4-methanesulfonyl-2-nitrophenyl)methanone

Conditions
ConditionsYield
With triethylamine In 1,4-dioxane at 50℃; for 5h;95%
4-methanesulfonyl-2-nitro-benzoic acid
110964-79-9

4-methanesulfonyl-2-nitro-benzoic acid

1-methanesulfonyl-3-nitro-benzene
2976-32-1

1-methanesulfonyl-3-nitro-benzene

Conditions
ConditionsYield
With copper(l) iodide; triethylamine In dimethyl sulfoxide at 120℃; under 760.051 Torr; for 20h; Inert atmosphere; Schlenk technique;87%
4-methanesulfonyl-2-nitro-benzoic acid
110964-79-9

4-methanesulfonyl-2-nitro-benzoic acid

1,3-cylohexanedione
504-02-9

1,3-cylohexanedione

mesotrione
104206-82-8

mesotrione

Conditions
ConditionsYield
Stage #1: 4-methanesulfonyl-2-nitro-benzoic acid; 1,3-cylohexanedione With dicyclohexyl-carbodiimide In 5,5-dimethyl-1,3-cyclohexadiene at 140 - 150℃;
Stage #2: In 5,5-dimethyl-1,3-cyclohexadiene; acetonitrile Solvent;
80.3%
tert-butyl (2S)-amino(cyclohexyl)ethanoate hydrochloride
213475-52-6

tert-butyl (2S)-amino(cyclohexyl)ethanoate hydrochloride

4-methanesulfonyl-2-nitro-benzoic acid
110964-79-9

4-methanesulfonyl-2-nitro-benzoic acid

1,1-dimethylethyl (2S)-cyclohexyl-({[4-(methylsulfonyl)-2-nitrophenyl]carbonyl}amino)ethanoate
887243-81-4

1,1-dimethylethyl (2S)-cyclohexyl-({[4-(methylsulfonyl)-2-nitrophenyl]carbonyl}amino)ethanoate

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine; HATU In N,N-dimethyl-formamide at 20℃;74%
4-methanesulfonyl-2-nitro-benzoic acid
110964-79-9

4-methanesulfonyl-2-nitro-benzoic acid

benzene
71-43-2

benzene

4-methylsulfonyl-2-nitro-1-phenylbenzene

4-methylsulfonyl-2-nitro-1-phenylbenzene

Conditions
ConditionsYield
With dipotassium peroxodisulfate; silver sulfate In acetonitrile at 120℃; for 24h; Glovebox; Schlenk technique; Sealed tube; Inert atmosphere;70%
1,2,4-Triazole
288-88-0

1,2,4-Triazole

4-methanesulfonyl-2-nitro-benzoic acid
110964-79-9

4-methanesulfonyl-2-nitro-benzoic acid

2-Nitro-4-methanesulphonyl benzoyltriazolamide

2-Nitro-4-methanesulphonyl benzoyltriazolamide

Conditions
ConditionsYield
With thionyl chloride In N-methyl-acetamide; 5,5-dimethyl-1,3-cyclohexadiene; acetonitrile56.8%
3-amino-4-methylfurazan
17647-70-0

3-amino-4-methylfurazan

4-methanesulfonyl-2-nitro-benzoic acid
110964-79-9

4-methanesulfonyl-2-nitro-benzoic acid

N-(4-methyl-1,2,5-oxadiazol-3-yl)-4-(methylsulfonyl)-2-nitrobenzamide

N-(4-methyl-1,2,5-oxadiazol-3-yl)-4-(methylsulfonyl)-2-nitrobenzamide

Conditions
ConditionsYield
With dmap; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; triethylamine In tetrahydrofuran; dichloromethane at 20℃; for 30h;53%
4-methanesulfonyl-2-nitro-benzoic acid
110964-79-9

4-methanesulfonyl-2-nitro-benzoic acid

1-iodo-3-(methylsulfonyl)-5-nitrobenzene
62606-16-0

1-iodo-3-(methylsulfonyl)-5-nitrobenzene

Conditions
ConditionsYield
With copper(I) oxide; potassium phosphate; bismuth (III) nitrate pentahydrate; palladium(II) trifluoroacetate; oxygen; sodium iodide In dimethyl sulfoxide at 170℃; for 20h; Schlenk technique;51%
With copper(I) oxide; potassium phosphate; bismuth (III) nitrate pentahydrate; oxygen; palladium diacetate; sodium iodide In dimethyl sulfoxide at 170℃; for 10h; Schlenk technique; Green chemistry; regioselective reaction;24.4 mg
4-methanesulfonyl-2-nitro-benzoic acid
110964-79-9

4-methanesulfonyl-2-nitro-benzoic acid

C14H12N2O8S2

C14H12N2O8S2

Conditions
ConditionsYield
With copper(l) iodide In dimethyl sulfoxide at 140℃; for 20h; Inert atmosphere; Molecular sieve;42%
4-methanesulfonyl-2-nitro-benzoic acid
110964-79-9

4-methanesulfonyl-2-nitro-benzoic acid

2-amino-4-(methylsulfonyl)benzoic acid
393085-45-5

2-amino-4-(methylsulfonyl)benzoic acid

Conditions
ConditionsYield
With hydrogenchloride; iron
4-methanesulfonyl-2-nitro-benzoic acid
110964-79-9

4-methanesulfonyl-2-nitro-benzoic acid

3-methanesulfonyl-benzo[4,5]thiazolo[2,3-b]quinazolin-12-one

3-methanesulfonyl-benzo[4,5]thiazolo[2,3-b]quinazolin-12-one

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: iron-powder; aqueous HCl
View Scheme
3-chloro-2-cyclohexenone
5682-75-7

3-chloro-2-cyclohexenone

4-methanesulfonyl-2-nitro-benzoic acid
110964-79-9

4-methanesulfonyl-2-nitro-benzoic acid

3-(4'-methylsulfonyl-2'-nitro-benzoyloxy)-2-cyclohexene-1-one
226944-49-6

3-(4'-methylsulfonyl-2'-nitro-benzoyloxy)-2-cyclohexene-1-one

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine; zinc(II) chloride In acetonitrile at 45℃; for 58h; Heating / reflux;
With N-ethyl-N,N-diisopropylamine; zinc(II) chloride In acetonitrile at 45℃; for 58h; Heating / reflux;
1-methyl-8-oxa-bicyclo[3.2.1]oct-6-ene-2,4-dione
872030-70-1

1-methyl-8-oxa-bicyclo[3.2.1]oct-6-ene-2,4-dione

4-methanesulfonyl-2-nitro-benzoic acid
110964-79-9

4-methanesulfonyl-2-nitro-benzoic acid

3-(4-methylsulfonyl-2-nitro-benzoyl)-1-methyl-8-oxa-bicyclo[3.2.1]oct-6-ene-2,4-dione

3-(4-methylsulfonyl-2-nitro-benzoyl)-1-methyl-8-oxa-bicyclo[3.2.1]oct-6-ene-2,4-dione

Conditions
ConditionsYield
Stage #1: 1-methyl-8-oxa-bicyclo[3.2.1]oct-6-ene-2,4-dione; 4-methanesulfonyl-2-nitro-benzoic acid With dicyclohexyl-carbodiimide In dichloromethane; acetonitrile at 20℃; for 2.5h;
Stage #2: With triethylamine; 2-hydroxy-propionitrile In dichloromethane; acetonitrile at 20℃; for 18h;
4-nitro-phenol
100-02-7

4-nitro-phenol

oxalyl dichloride
79-37-8

oxalyl dichloride

4-methanesulfonyl-2-nitro-benzoic acid
110964-79-9

4-methanesulfonyl-2-nitro-benzoic acid

4-nitrophenyl 2-nitro-4-(methylsulfonyl)benzoate
415955-68-9

4-nitrophenyl 2-nitro-4-(methylsulfonyl)benzoate

Conditions
ConditionsYield
With triethylamine In dichloromethane; N,N-dimethyl-formamide
With triethylamine In dichloromethane; N,N-dimethyl-formamide

110964-79-9Relevant articles and documents

Synthesis of 2-Nitro-4-methylsulfonylbenzoic Acid

Cheng, Chunsheng,Wei, Zhenyun,Ma, Xiaohua

, p. 3559 - 3563 (2015)

2-Nitro-4-methylsulfonylbenzoic acid was synthesized by the oxidation of 2-nitro-4-methylsulfonyl toluene with hydrogen peroxide in the presence of CuO/Al2O3, which was first used in strong acid system. Furthermore, the process of the reaction was thoroughly investigated by varying reactant molar ratio, reaction temperature and the amount of catalyst to obtain the optimum process. Meanwhile, unreacted 2-nitro-4-methylsulfonyl toluene can be recycled after simple treatment. The yield can reach 78.3 %. The method demonstrated the following advantages. Firstly, the oxidant dosage of sulfuric acid and hydrogen peroxide will be reduced greatly. Secondly, unreacted 2-nitro-4-methylsulfonyl toluene can be recycled. Thirdly, this process had good performance on safety. It will be a high-efficiency, energy-saving and environment-friendly technology to produce 2-nitro-4-methylsulfonylbenzoic acid.

Synthetic method for oxidizing 2 - nitro -4 - methylsulfonyl toluene with oxygen to generate 2 - nitro -4 - methylsulfonylbenzoic acid

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Paragraph 0044-0047, (2021/09/21)

The invention relates to the field of fine chemical synthesis, in particular to a method for synthesizing 2 - nitro -4 - methylsulfonyl benzoic acid by oxidizing 2 - nitro -4 - methylsulfonyl toluene with oxygen. In the microchannel reactor, the catalyst is filled, oxygen is introduced, and 2 - nitro -4 - methylsulfonyltoluene is slowly introduced into the alkaline solution, wherein the oxygen is charged into the pressure maintaining 0.2 - 10 mpa, the reaction temperature is controlled to 130 - 200 °C. according to the obtained product content, and high conversion rate can be obtained. High selectivity, high content of continuous products.

Preparation method of 2-nitro-4-methylsulfonylbenzoic acid

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Paragraph 0042-0043; 0050-0056; 0063-0068; 0075-0080, (2020/11/01)

The invention relates to a preparation method of 2-nitro-4-methylsulfonylbenzoic acid. Based on a nitric acid oxidation scheme, p-methylsulfonyltoluene is dissolved into a chloroalkane solvent, nitricacid is dropwise added into sulfuric acid with the mass fraction of 80-90wt%, a chloroalkane solution of p-methylsulfonyltoluene and a mixed acid solution are simultaneously and continuously added into a reaction system for a nitration reaction, the sulfuric acid is repeatedly used after the nitration reaction material liquid is treated, the sulfuric acid can be used both in the nitration reaction and the oxidation reaction, the sulfuric acid in the oxidation reaction can be repeatedly used, the total molar yield of the 2-nitro-4-methylsulfonylbenzoic acid can achieve more than 90%, and the content is more than 99%. By means of the method, the amount of waste acid in production of 2-nitro-4-methylsulfonylbenzoic acid can be reduced by 90% or above, the use amount of vanadium pentoxide isreduced by 90% or above, three wastes are greatly reduced, the process is safe and environmentally friendly, the amount of the three wastes is small, and the method is suitable for industrial large-scale production.

2 - Nitro -4 --methylsulfonyl benzoic acid (by machine translation)

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Paragraph 0032; 0039-0041; 0042; 0049-0051, (2019/05/04)

The invention discloses a 2 - nitro - 4 - P-methylsulfonyl-benzoic acid synthesis method, using 3 - nitrophthalic acid as the substrate of reaction, willimson sulfonated, sulfinyl acidification, [...] and [...]-step chemical reaction, to obtain the 2 - nitro - 4 - P-methylsulfonyl-benzoic acid. The invention can avoid the use of large amount of sulfuric acid, nitric acid, to avoid high-risk oxidation reaction. The invention has the low cost of raw materials, the conversion is high, high production efficiency, pollution is small, and each step of mild reaction conditions, the reaction process is simple and easy to control and the like. The final product purity can be up to 99% or more, the four-step reaction and the total conversion rate can reach 90% or more, all organic solvent can be recycled, the new method is in line with the direction of the green chemical development clean production process. (by machine translation)

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