Ethoxysulfuron

Base Information

• Chemical Name: Ethoxysulfuron
• CAS No.: 126801-58-9
• Molecular Formula: C15H18N4O7S
• Molecular Weight: 398.397
• European Community (EC) Number: 603-166-8
• UNII: 2A9C8090ZD
• DSSTox Substance ID: DTXSID1057951
• Nikkaji Number: J1.022.874C
• Wikidata: Q22807473
• ChEMBL ID: CHEMBL2313153
• Mol file: 126801-58-9.mol

Synonyms:1-(4,6-dimethoxypyrimidin-2-yl)-3-(2-ethoxyphenoxysulfonyl)urea;ethoxysulfuron

Chemical Property of Ethoxysulfuron

Chemical Property:

• Melting Point: 145-147°
• Refractive Index: 1.583
• PKA: Dissociation constant (pKa at 20 °C) 5.28
• PSA: 146.35000
• Density: 1.426 g/cm³
• LogP: 2.88250
• Storage Temp.: 0-6°C
• Solubility.: Solubility in organic solvents (g/l at 20 °C) Acetone 36.0 Ethyl acetate 14.1 Dichloromethane 107.0 n‐Hexane 0.006 Methanol 7.7 Polyethylene glycol 22.5 Toluene 2.5
• Water Solubility.: Solubility in water (g/l at 20 °C): 0.026 (pH 5) ? 1.353 (pH 7)?? 9.628 (pH 9)
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 8
• Exact Mass: 398.08962010
• Heavy Atom Count: 27
• Complexity: 559

Purity/Quality:

98%,99%, ^*data from raw suppliers

Ethoxysulfuron ^*data from reagent suppliers

Safty Information:

• Pictogram(s): N
• Hazard Codes: N
• Statements: 50/53
• Safety Statements: 60-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCOC1=CC=CC=C1OS(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC
• Uses: Herbicide.

Technology Process of Ethoxysulfuron

There total 4 articles about Ethoxysulfuron 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: 96.4%

2-ethoxyphenyl N-(2-ethoxyphenoxysulfonyl)carbamate + 4,6-dimethoxy-2-aminopyrimidine (36315-01-2,256642-28-1) → 2-Ethoxyphenol (94-71-3) + ethoxysulfuron (126801-58-9)

Guidance literature:

In toluene;

Reference yield: 70.7%

2-ethoxyphenoxysulfonamide (128276-53-9) + 2-isocyanato-4,6-dimethoxypyrimidine (111284-03-8) → ethoxysulfuron (126801-58-9)

Guidance literature:

With triethylamine; In ethyl acetate; at 20 ℃; for 1h;

Reference yield:

(2-ethoxy-phenoxy)-sulphonyl isocyanate (126802-26-4) + 4,6-dimethoxy-2-aminopyrimidine (36315-01-2,256642-28-1) → ethoxysulfuron (126801-58-9)

Guidance literature:

With hydrogenchloride; sodium sulfate; In dichloromethane; water;

upstream raw materials:

2-ethoxyphenoxysulfonamide

2-isocyanato-4,6-dimethoxypyrimidine

4,6-dimethoxy-2-aminopyrimidine

(2-ethoxy-phenoxy)-sulphonyl isocyanate

Refernces

• 1、 -. "Method for producing a solid herbicide formulation". . . Retrieved 2008/06/13.
• 2、 -. "Process for the preparation of sulfonylureas". . . Retrieved 2008/06/13.