Halosulfuron-methyl

Base Information

• Chemical Name: Halosulfuron-methyl
• CAS No.: 100784-20-1
• Molecular Formula: C₁₃H₁₅ClN₆O₇S
• Molecular Weight: 434.817
• European Community (EC) Number: 600-130-3
• UNII: W1CP17GD87
• DSSTox Substance ID: DTXSID9034650
• Nikkaji Number: J640.666A
• Wikidata: Q22808250
• Metabolomics Workbench ID: 46718
• ChEMBL ID: CHEMBL2140532
• Mol file: 100784-20-1.mol

Synonyms:halosulfuron methyl

Chemical Property of Halosulfuron-methyl

Chemical Property:

• Appearance/Colour: White powder
• Melting Point: 175-177 °C
• Refractive Index: 1.663
• PKA: 11.96±0.70(Predicted)
• PSA: 172.01000
• Density: 1.618 g/cm³
• LogP: 1.72240
• Storage Temp.: 0-6°C
• Water Solubility.: Insoluble in water
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 7
• Exact Mass: 434.0411457
• Heavy Atom Count: 28
• Complexity: 665

Purity/Quality:

99% ^*data from raw suppliers

Halosulfuron-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:

• Canonical SMILES: CN1C(=C(C(=N1)Cl)C(=O)OC)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC
• Uses: Herbicide.

Technology Process of Halosulfuron-methyl

There total 13 articles about Halosulfuron-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: 96.0%

O-phenyl N-(4,6-dimethoxypyrimidin-2-yl)carbamate (89392-03-0) + 3-chloro-4-methoxycarbonyl-1-methylpyrazole-5-sulfonamide (100784-27-8) → halosulfuron methyl (100784-20-1)

Guidance literature:

With triethylamine; In acetonitrile; at 60 ℃; for 0.166667h; Microwave irradiation;

DOI:10.14233/ajchem.2017.20529

Reference yield:

4,6-dimethoxy-2-aminopyrimidine (36315-01-2,256642-28-1) + 3-chloro-4-methoxycarbonyl-1-methylpyrazole-5-sulfonamide isocyanate → halosulfuron methyl (100784-20-1)

Guidance literature:

With phosgene; In acetonitrile; at 20 ℃;

Reference yield:

4,6-dimethoxy-2-aminopyrimidine (36315-01-2,256642-28-1) + 3-chloro-4-methoxycarbonyl-1-methylpyrazole-5-sulfonyl isocyanate → halosulfuron methyl (100784-20-1)

Guidance literature:

In acetonitrile; at 20 ℃;

upstream raw materials:

O-phenyl N-(4,6-dimethoxypyrimidin-2-yl)carbamate

3-chloro-4-methoxycarbonyl-1-methylpyrazole-5-sulfonamide

Methyl 5-Chloro-1-methylpyrazole-4-carboxylate

methyl ester of 1-methylpyrazole-4-carboxylic acid

Downstream raw materials:

C₁₂H₁₄ClN₅O₄

3-chloro-4-methoxycarbonyl-1-methylpyrazole-5-sulfonamide

Refernces

• 1、 -. "Form of halosulfuron-methyl, a process for its preparation and use of the same". Page/Page column 8. . Retrieved 2017/05/02.
• 2、 -. "Method for producing a solid herbicide formulation". . . Retrieved 2008/06/13.