Mesosulfuron-methyl [iso]
Mesosulfuron-methyl
CAS: 208465-21-8
Molecular Formula: C17H21N5O9S2
Mesosulfuron-methyl [iso] - Names and Identifiers
| Name | Mesosulfuron-methyl |
| Synonyms | AEF130060 AEF154851 AEF6012-33H Mesosulfuron-methyl Mesosulfuron-methyl [iso] Methyl 2-[3-(4,6-dimethyoxypyrimidin-2-yl)ureidosulfonyl]-4-methanesulfonamidomethybenzoate Methyl 2-(N-((4,6-dimethoxypyrimidin-2-yl)carbamoyl)-sulfamoyl)-4-(methylsulfonamidomethyl)ben Benzoic acid, 2-(4,6-dimethoxy-2-pyrimidinyl)aminocarbonylaminosulfonyl-4-(methylsulfonyl)amin Methyl 2-(N-((4,6-diMethoxypyriMidin-2-yl)carbaMoyl)sulfaMoyl)-4-(MethylsulfonaMidoMethyl)benzoate methyl 2-{[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamoyl}-4-{[(methylsulfonyl)amino]methyl}benzoate Benzoic acid, 2-(((((4,6-dimethoxy-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)-4-(((methylsulfonyl)amino)methyl)-, methyl ester |
| CAS | 208465-21-8 |
| InChI | InChI=1/C17H21N5O9S2/c1-29-13-8-14(30-2)20-16(19-13)21-17(24)22-33(27,28)12-7-10(9-18-32(4,25)26)5-6-11(12)15(23)31-3/h5-8,18H,9H2,1-4H3,(H2,19,20,21,22,24) |
| InChIKey | NIFKBBMCXCMCAO-UHFFFAOYSA-N |
Mesosulfuron-methyl [iso] - Physico-chemical Properties
| Molecular Formula | C17H21N5O9S2 |
| Molar Mass | 503.51 |
| Density | 1.498±0.06 g/cm3(Predicted) |
| Melting Point | 195.4° |
| Water Solubility | Solubility in water (g/l at 20 °C) 0.007 (pH 5) 0.483 (pH 7) 15.39 (pH 9). |
| Solubility | Solubility in organic solvents (g/l at 20 °C) Acetone 13.66 Ethyl acetate 2.0 Dichloromethane 3.8 n‐Hexane <0.0002 Toluene 0.013. |
| Appearance | neat |
| pKa | Dissociation constant (pKa at 20 °C):4.35. |
| Storage Condition | Sealed in dry,2-8°C |
| Refractive Index | 1.59 |
Mesosulfuron-methyl [iso] - Risk and Safety
| Hazard Symbols | N - Dangerous for the environment |
| Risk Codes | 50 - Very Toxic to aquatic organisms |
| Safety Description | 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. |
| UN IDs | UN 3077 |
| WGK Germany | 2 |
| Toxicity | LD50 in rats (mg/kg): >5000 orally; >5000 dermally; LC50 in rats: >1.33 mg/l air (Hacker) |
Mesosulfuron-methyl [iso] - Reference Information
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| Application | Methyldisulfuron, also known as methylsulfuron, chemical name 2-[(4, 6-dimethoxypyrimidine 2-Aminocarbonyl) Aminosulfonyl]-a-(methylsulfonamido) methyl p-toluenoate, is a new sulfonylurea herbicide developed by Bayer in Germany in 2002, about sulfonylurea herbicides, it is the largest class of herbicides in the world. It mainly works by inhibiting acetolactate synthase. Weed roots and leaves are absorbed and conducted in plants, thereby prompting weeds to stop growing to achieve weeding effects. The agent has a good control effect on some broad-leaved weeds such as winter wheat and spring wheat annual gramineous weeds and strands, and the demand for herbicide market in my country is on the rise. |
| preparation | dissolve 5.0g of 5-methylsulfonylaminomethyl saccharin in 30mL of methanol, add 2mL of concentrated hydrochloric acid, slowly raise the temperature to reflux, and continue the reaction for 5h. After the system is concentrated, methylene chloride is added, saturated sodium bicarbonate aqueous solution is washed to weakly alkaline, saturated salt water is washed, anhydrous magnesium sulfate is dried, filtered, and the filtrate is concentrated under reduced pressure to obtain 4.4g of white solid. HPLC analysis shows that the purity is 98.7%, the yield is 80.1%, and the melting point is 186~188 ℃ (literature: 185~187 ℃). 3.0g of 2-methoxycarbonyl -5-methanesulfonyl aminomethyl benzene sulfonamide and 5.0g of 4,6-dimethoxy-2-(phenoxycarbonyl) aminopyrimidine were dissolved in 30mL of acetonitrile, cooled to 0-5 ℃ in an ice bath, added 2 mL1,8-diazabicyclo [5.4.0] undecarbon-7-ene (DBU), and reacted at 25 ℃ for 1.5h. Most of the solvent was removed by vacuum, 30 mL2mol/LHCl and 20mL isopropyl ether were added to the residual liquid, a large amount of solid was precipitated, filtered, washed, and vacuum dried to obtain 4.1g of the product. The HPLC purity was 99.3%, the yield was 87.7%, and the melting point was 193~195 ℃ (literature: 191~193 ℃). |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 15:16:48
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