Welcome to LookChem.com Sign In|Join Free

Product Name

  • or
Home > Products > 

Mesotrion
Basic Information Post buying leads Suppliers Cas Database
Basic InformationSuppliers
  • Name Mesotrion
  • EINECSN/A
  • CAS No. 104206-82-8
  • Density1.474 g/cm3
  • PSA139.55000
  • LogP2.72330
  • SolubilityN/A
  • Melting Point165oC
  • FormulaC14H13NO7S
  • Boiling Point643.3 °C at 760 mmHg
  • Molecular Weight339.326
  • Flash Point342.9 °C
  • Transport InformationUN 3077
  • AppearanceLight yellow crystalline powder
  • Safety60-61
  • Risk Codes50/53
  • Molecular Structure
    Molecular Structure of 104206-82-8 (Mesotrione)
  • Hazard SymbolsDangerousN
  • SynonymsDangerousN
  • Article Data22

Mesotrion Synthetic route

226944-49-6

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

104206-82-8

mesotrione

Conditions
ConditionsYield
With caesium carbonate; 1,8-diazabicyclo[5.4.0]undec-7-ene at 20 - 30℃; for 2h; Reagent/catalyst; Temperature;95%
With 6-chloro-7H-purine at 60 - 65℃; for 4h;92.3%
With triethylamine; 2-hydroxy-2-methylpropanenitrile In acetonitrile at 20℃; for 10h; Inert atmosphere;54%
110964-80-2

4-methylsulphonyl-2-nitrobenzoyl chloride

504-02-9

1,3-cylohexanedione

104206-82-8

mesotrione

Conditions
ConditionsYield
With triethylamine; 2-hydroxy-2-methylpropanenitrile In dichloromethane at 15℃; Large scale;89.66%
With triethylamine In dichloromethane at 35 - 40℃;88.74%
Stage #1: 4-methylsulphonyl-2-nitrobenzoyl chloride; 1,3-cylohexanedione In dichloromethane at 15℃; for 2h;
Stage #2: With 2-hydroxy-2-methylpropanenitrile In dichloromethane at 32℃; for 3h; Temperature;		88%
Stage #1: 4-methylsulphonyl-2-nitrobenzoyl chloride; 1,3-cylohexanedione With 15-crown-5; sodium hydroxide In chloroform at 35℃; for 1.5h;
Stage #2: With 15-crown-5; sodium hydroxide; N,N,N',N'-tetramethylguanidine In chloroform at 350℃; for 3.5h; Solvent; Temperature;		88.98%
110964-79-9

4-methanesulfonyl-2-nitro-benzoic acid

504-02-9

1,3-cylohexanedione

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%

C14H13NO5S

104206-82-8

mesotrione

Conditions
ConditionsYield
With diethylene glycol dibutyl ether; oxygen at 150℃; for 20h; Green chemistry;72%
With diethylene glycol dibutyl ether; oxygen at 150℃; for 20h;72%

1-(2-Nitro-4-methanesulphonylbenzoyl)-1,2,4-triazole

504-02-9

1,3-cylohexanedione

104206-82-8

mesotrione

Conditions
ConditionsYield
With potassium carbonate In water; acetonitrile
288-88-0

1,2,4-Triazole

226944-49-6

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

104206-82-8

mesotrione

Conditions
ConditionsYield
In potassium carbonate
453-72-5

1-fluoro-4-methanesulfonyl-2-nitrobenzene

104206-82-8

mesotrione

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1.1: sodium hydroxide / dimethyl sulfoxide / 3 h / 310 °C
1.2: 3 h
2.1: thionyl chloride / Reflux
3.1: triethylamine / toluene / 20 - 30 °C
4.1: benzyl triethylammonium azide; triethylamine / 50 °C
View Scheme
97-07-4

1-chloro-4-methanesulfonyl-2-nitrobenzene

104206-82-8

mesotrione

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1.1: sodium hydroxide / dimethyl sulfoxide / 1 h / 60 °C
1.2: 2 h
2.1: thionyl chloride / Reflux
3.1: triethylamine / toluene / 20 - 30 °C
4.1: benzyl triethylammonium azide; triethylamine / 50 °C
View Scheme
110964-79-9

4-methanesulfonyl-2-nitro-benzoic acid

104206-82-8

mesotrione

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: thionyl chloride / Reflux
2: triethylamine / toluene / 20 - 30 °C
3: benzyl triethylammonium azide; triethylamine / 50 °C
View Scheme
Multi-step reaction with 3 steps
1: phosgene / toluene; N,N-dimethyl-formamide / 2 h / 70 - 80 °C
2: potassium carbonate / 8 h / 55 °C
3: 6-chloro-7H-purine / 4 h / 60 - 65 °C
View Scheme
Multi-step reaction with 3 steps
1: thionyl chloride; N,N-dimethyl-formamide / 1,2-dichloro-ethane / 6.5 h / 65 - 69 °C / Inert atmosphere
2: triethylamine / dichloromethane / 20 °C
3: triethylamine; 2-hydroxy-2-methylpropanenitrile / acetonitrile / 10 h / 20 °C / Inert atmosphere
View Scheme
1671-49-4

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

104206-82-8

mesotrione

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: vanadia; nitric acid / 135 - 160 °C
2: thionyl chloride; N,N-dimethyl-formamide / 1,2-dichloro-ethane / 6 h / 60 - 65 °C
3: triethylamine / 1,2-dichloro-ethane / 1 h / 5 - 35 °C
4: triethylamine; 2-hydroxy-2-methylpropanenitrile / 5 h / 20 - 25 °C
View Scheme
Multi-step reaction with 4 steps
1.1: vanadia; sulfuric acid; nitric acid / 13 h / 145 - 165 °C
2.1: N,N-dimethyl-formamide / dichloromethane / 0.5 h
2.2: 5 h / 30 - 80 °C
3.1: tetrabutylammomium bromide / water; dichloromethane / 6 h / 2 °C
4.1: triethylamine / dichloromethane / 0.25 h / 30 °C
4.2: 3 h / 30 °C
View Scheme
Multi-step reaction with 3 steps
1.1: oxygen; cobalt(II) chloride; iron(III) sulfate / acetic acid / 300 °C / 18751.9 Torr
2.1: bis(trichloromethyl) carbonate / N,N-dimethyl-formamide / 3 h / 70 °C
3.1: 15-crown-5; sodium hydroxide / chloroform / 1.5 h / 35 °C
3.2: 3.5 h / 350 °C
View Scheme

Mesotrion Chemical Properties

The Molecular Structure of 1,3-Cyclohexanedione, 2-(4-(methylsulfonyl)-2-nitrobenzoyl)- (CAS NO.104206-82-8):

Empirical Formula: C14H13NO7S
Molecular Weight: 339.3205 
IUPAC Name: 2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione
Nominal Mass: 339 Da
Average Mass: 339.3205 Da
Monoisotopic Mass: 339.041272 Da 
Index of Refraction: 1.583
Molar Refractivity: 76.92 cm3
Molar Volume: 230 cm3
Surface Tension: 61 dyne/cm
Density: 1.474 g/cm3
Flash Point: 342.9 °C
Enthalpy of Vaporization: 94.93 kJ/mol
Boiling Point: 643.3 °C at 760 mmHg
Vapour Pressure: 1.93E-16 mmHg at 25°C 
InChI
InChI=1/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3
Smiles
C1(C(C(CCC1)=O)C(c1c(cc(cc1)S(=O)(=O)C)[N+](=O)[O-])=O)=O 
Synonyms: Mesotrione [ISO] ; EINECS Annex I Index 609-064-00-X ; HSDB 7250 ; Mesotrione ; ZA 1296

Mesotrion Safety Profile

Hazard Codes: DangerousN
Risk Statements: 50/53 
R50/53: Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment
Safety Statements: 60-61 
S60: This material and its container must be disposed of as hazardous waste
S61: Avoid release to the environment. Refer to special instructions / safety data sheets
RIDADR UN: 3077
Hazardous Substances: Data 104206-82-8(Hazardous Substances Data)

Mesotrion Specification

 1,3-Cyclohexanedione, 2-(4-(methylsulfonyl)-2-nitrobenzoyl)- (CAS NO.104206-82-8) is also called as (2-Nitro-4-(methylsullfonyl))benzoylcyclohexane-1,3-dione . 

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 104206-82-8
Related Products

Hot Products

Post a RFQ