Thifensulfuron-methyl

Base Information

• Chemical Name: Thifensulfuron-methyl
• CAS No.: 79277-27-3
• Molecular Formula: C12H13N5O6S2
• Molecular Weight: 387.397
• Hs Code.: 29350090
• European Community (EC) Number: 616-673-4
• UNII: 5VFH25ES6F
• DSSTox Substance ID: DTXSID1024124
• Nikkaji Number: J372.958C
• Wikidata: Q22808965
• Metabolomics Workbench ID: 67930
• ChEMBL ID: CHEMBL1904815
• Mol file: 79277-27-3.mol

Synonyms:thifensulfuron methyl;thifensulfuron-methyl

Chemical Property of Thifensulfuron-methyl

Chemical Property:

• Appearance/Colour: White crystal
• Melting Point: 176 °C
• Refractive Index: 1.608
• PKA: pKa at 25°: 4.0
• PSA: 186.09000
• Density: 1.56 g/cm³
• LogP: 2.09180
• Storage Temp.: 0-6°C
• Water Solubility.: Practically insoluble in water
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 6
• Exact Mass: 387.03072550
• Heavy Atom Count: 25
• Complexity: 597

Purity/Quality:

99.9% ^*data from raw suppliers

Thifensulfuron-methyl ^*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

Useful:

• Chemical Classes: Pesticides -> Herbicides, Sulfonylurea
• Canonical SMILES: CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)OC
• Uses: Herbicide. Postemergence herbicide used to control wild garlic and many broad-leaved weeds in barley and spring wheat.

Technology Process of Thifensulfuron-methyl

There total 2 articles about Thifensulfuron-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:

methyl 3-(N-(methoxycarbonyl)sulfamoyl)thiophene-2-carboxylate + 4-methoxy-6-methyl-1,3,5-triazin-2-amine (1668-54-8) → thifensulfuron methyl (79277-27-3)

Guidance literature:

In dichloromethane; at 20 ℃; for 16h;

Reference yield:

→ thifensulfuron methyl (79277-27-3)

Guidance literature:

Reference yield: 35.0%

thifensulfuron methyl (79277-27-3) → methyl 3-[({[(4-hydroxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl}amino)sulfonyl]-2-thiophene methyl carboxylate (150258-68-7)

Guidance literature:

With hydrogenchloride; In tetrahydrofuran; for 2h;

DOI:10.1021/jf950194f

upstream raw materials:

4-methoxy-6-methyl-1,3,5-triazin-2-amine

Downstream raw materials:

Methyl 3-sulfamoylthiophene-2-carboxylate

methyl 3-[({[(4-hydroxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl}amino)sulfonyl]-2-thiophene methyl carboxylate

3-((((N-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino)carbonyl)amino)sulfonyl)-2-thiophenecarboxylic acid

Thiophene-3-sulfonamide

Refernces

• 1、 -. "Substituted pyridinesulfonamide compounds or their salts, process for preparing the same, and herbicides containing the same". . . Retrieved 2008/06/13.
• 2、 -. "N-phenylpyrrolidines". . . Retrieved 2008/06/13.