Bensulfuron-methyl

Base Information

• Chemical Name: Bensulfuron-methyl
• CAS No.: 83055-99-6
• Deprecated CAS: 96081-37-7,104466-83-3,110280-01-8
• Molecular Formula: C16H18N4O7S
• Molecular Weight: 410.408
• Hs Code.: 29350090
• European Community (EC) Number: 401-340-6,622-783-3
• UNII: QWL4I737BL
• DSSTox Substance ID: DTXSID7024164
• Nikkaji Number: J195.901H
• Wikidata: Q2896712
• Metabolomics Workbench ID: 67772
• ChEMBL ID: CHEMBL2313154
• Mol file: 83055-99-6.mol

Synonyms:2-((((((4,6-dimethoxy-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)methyl)benzoic acid methyl ester;bensulfuron methyl;bensulphuron-methyl;Londax;methyl bensulfuron;methyl bensulfuron, lithium salt

Chemical Property of Bensulfuron-methyl

Chemical Property:

• Appearance/Colour: White to pale yellow, odourless solid
• Melting Point: 185-188 °C
• Refractive Index: 1.6000 (estimate)
• PKA: 12.34±0.70(Predicted)
• PSA: 154.19000
• Density: 1.437 g/cm³
• LogP: 2.47660
• Storage Temp.: 0-6°C
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 8
• Exact Mass: 410.08962010
• Heavy Atom Count: 28
• Complexity: 627

Purity/Quality:

95% ^*data from raw suppliers

Bensulfuron-methyl ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi, N
• Hazard Codes: Xi;N,N,Xi
• Statements: 43-51/53
• Safety Statements: 2-24-37-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)CC2=CC=CC=C2C(=O)OC)OC
• Description: Bensulfuron-methyl (BSM) is a new kind of sulfonylurea herbicide widely used to control various weeds and sedges. It is moderately soluble in water, non-volatile and moderately mobile. It would not be expected to persistent in soil but could be persistent in water systems under certain conditions. It is not highly toxic to mammals. It also shows a low toxicity to birds and earthworms but is more of a concern to aquatic plants, algae and honeybees.
• Uses: Bensulfuron methyl (BSM) was the first sulfonylurea herbicide commercialized for use in rice, and it remains the dominant sulfonylurea for broadleaf and sedge weed control in this crop.

Technology Process of Bensulfuron-methyl

There total 1 articles about Bensulfuron-methyl which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

→ bensulfuron methyl (83055-99-6,104466-83-3)

Guidance literature:

Reference yield: 58.4%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + bensulfuron methyl (83055-99-6,104466-83-3) + 4-amino-n-butyric acid (56-12-2) → 4-(3-(4,6-dimethoxypyrimidin-2-yl)-5-{[2-(methoxycarbonyl)benzyl]sulfonyl}-4-oxo-1,3,5-triazinan-1-yl)butanoic acid

Guidance literature:

formaldehyd; bensulfuron methyl; 4-amino-n-butyric acid; In water; at 40 ℃; for 0.5h;

With 4-methyl-morpholine; In 1,4-dioxane; toluene; at 40 - 110 ℃;

DOI:10.1021/jf011150b

Reference yield: 53.7%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + bensulfuron methyl (83055-99-6,104466-83-3) + 6-aminohexanoic acid (60-32-2,93208-38-9) → 6-(3-(4,6-dimethoxypyrimidin-2-yl)-5-{[2-(methoxycarbonyl)benzyl]sulfonyl}-4-oxo-1,3,5-triazinan-1-yl)hexanoic acid

Guidance literature:

formaldehyd; bensulfuron methyl; 6-aminohexanoic acid; In water; at 40 ℃; for 0.5h;

With 4-methyl-morpholine; In 1,4-dioxane; toluene; at 40 - 110 ℃;

DOI:10.1021/jf011150b

Downstream raw materials:

2-{[({[(4,6-dimethoxypyrimidin-2-yl)amino]carbonyl}amino)sulfonyl]methyl}benzoic acid

Refernces

• 1、 -. "Halopyridyl triazolinone herbicides and herbicidal use thereof". . . Retrieved 2008/06/13.
• 2、 -. "Sulphonylaminophenyluracil herbicides for paddy field". . . Retrieved 2008/06/13.