Flazasulfuron

Base Information

• Chemical Name: Flazasulfuron
• CAS No.: 104040-78-0
• Molecular Formula: C13H12F3N5O5S
• Molecular Weight: 407.33
• European Community (EC) Number: 600-514-0
• UNII: 3SB13WWV30
• DSSTox Substance ID: DTXSID3034610
• Nikkaji Number: J268.463B
• Wikipedia: Flazasulfuron
• Wikidata: Q3073504
• ChEMBL ID: CHEMBL1878071
• Mol file: 104040-78-0.mol

Synonyms:flazasulfuron

Chemical Property of Flazasulfuron

Chemical Property:

• Melting Point: 164-166°
• Refractive Index: 1.549
• PKA: pKa (24°): 4.6
• PSA: 140.78000
• Density: 1.553 g/cm³
• LogP: 2.96270
• Storage Temp.: 2-8°C
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 5
• Exact Mass: 407.05112416
• Heavy Atom Count: 27
• Complexity: 602

Purity/Quality:

98% ^*data from raw suppliers

Flazasulfuron ^*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: COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(C=CC=N2)C(F)(F)F)OC
• Uses: Herbicide.

Technology Process of Flazasulfuron

There total 3 articles about Flazasulfuron 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:

O-phenyl N-(4,6-dimethoxypyrimidin-2-yl)carbamate (89392-03-0) + 3-(trifluoromethyl)-2-pyridinesulfonamide (104040-76-8) → flazasulfuron (104040-78-0)

Guidance literature:

With potassium carbonate; for 1h; Reflux;

Reference yield:

4,6-dimethoxypyrimidin-2-ylcarbamoyl chloride (111923-83-2) + 2-isocyanato-4,6-dimethoxypyrimidine (111284-03-8) + 3-(trifluoromethyl)-2-pyridinesulfonamide (104040-76-8) → flazasulfuron (104040-78-0)

Guidance literature:

In chlorobenzene; at 20 - 30 ℃; for 1h; Product distribution / selectivity;

Reference yield:

→ flazasulfuron (104040-78-0)

Guidance literature:

upstream raw materials:

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

3-(trifluoromethyl)-2-pyridinesulfonamide

4,6-dimethoxypyrimidin-2-ylcarbamoyl chloride

2-isocyanato-4,6-dimethoxypyrimidine

Downstream raw materials:

N-(4,6-dimethoxypyrimidin-2-yl)-N-[3-(trifluoromethyl)-2-pyridinyl]urea

3-(trifluoromethyl)-2-pyridinesulfonamide

3-(trifluoromethyl)-2-pyridylsulfonylmethylcarbamate

Refernces

• 1、 -. "Method for producing a solid herbicide formulation". . . Retrieved 2008/06/13.
• 2、 -. "N-phenylpyrrolidines". . . Retrieved 2008/06/13.