Flucetosulfuron

Base Information

• Chemical Name: Flucetosulfuron
• CAS No.: 412928-75-7
• Molecular Formula: C18H22FN5O8S
• Molecular Weight: 487.4594
• UNII: 9A9M9J02PX
• DSSTox Substance ID: DTXSID2058095
• Nikkaji Number: J1.866.209D
• Wikidata: Q27155587
• Mol file: 412928-75-7.mol

Synonyms:flucetosulfuron

Chemical Property of Flucetosulfuron

Chemical Property:

• Vapor Pressure: <1.86 × 10-5
• Melting Point: 178–182°C
• Boiling Point: °Cat760mmHg
• PKA: Dissociation constant (pKa at 20 °C) 3.5
• Flash Point: °C
• Density: 1.417g/cm³
• Solubility.: Solubility in organic solvents (g/l at 20 °C) Acetone 22.9 Ethyl acetate 11.7 Dichloromethane 113.0 Dimethylformamide 265.0 Dimethylsulfoxide 211.7 n‐Hexane 0.006 Methanol 3.8
• Water Solubility.: Solubility in water (g/l at 25 °C) 0.114 (pH 7)
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 11
• Exact Mass: 487.11731201
• Heavy Atom Count: 33
• Complexity: 743

Purity/Quality:

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

Flucetosulfuron ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(C1=C(C=CC=N1)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC)OC(=O)COC)F
• Uses: Flucetosulfuron is a sulfonylurea herbicide used for rice.

Technology Process of Flucetosulfuron

There total 10 articles about Flucetosulfuron 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:

2-fluoro-1-(3-sulfamoylpyridin-2-yl)propyl 2-methoxyacetate (412928-82-6) + O-phenyl N-(4,6-dimethoxypyrimidin-2-yl)carbamate (89392-03-0) → flucetosulfuron (412928-75-7)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In acetonitrile; at 20 ℃; for 1h; Inert atmosphere;

Reference yield:

flucetosulfuron (412928-75-7) → threo-flucetosulfuron (412928-75-7)

Guidance literature:

With Capcell pak C₁₈ UG₁₂₀ column; In acetonitrile; at 40 ℃; for 1.5h;

DOI:10.1021/jf4048836

Reference yield:

flucetosulfuron (412928-75-7) → erithro-flucetosulfuron (412928-75-7)

Guidance literature:

With Capcell pak C₁₈ UG₁₂₀ column; at 40 ℃; for 1.83333h;

DOI:10.1021/jf4048836

upstream raw materials:

1-(3-benzylsulfanylpyridin-2-yl)-2-fluoropropan-1-one

2-fluoro-1-(3-sulfamoylpyridin-2-yl)propyl 2-methoxyacetate

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

3-chloro-2-cyanopyridine

Refernces

• 1、 Lee, Yong-Sang,Liu, Kwang-Hyeon,Moon, Joon-Kwan,Ko, Beom Jun,Choi, Hoon,Hwang, Kook-Sang,Kim, Eunhye,Kim, Jeong-Han. "In vitro metabolism of flucetosulfuron by human liver microsomes". . p. 3057 - 3063. Retrieved 2014/05/06.