Azimsulfuron

Base Information

• Chemical Name: Azimsulfuron
• CAS No.: 120162-55-2
• Molecular Formula: C₁₃H₁₆N₁₀O₅S
• Molecular Weight: 424.4
• Hs Code.: 29350090
• European Community (EC) Number: 601-676-5
• UNII: R959I3139C
• DSSTox Substance ID: DTXSID8041614
• Nikkaji Number: J668.740G
• Wikidata: Q2615291
• Metabolomics Workbench ID: 45911
• Mol file: 120162-55-2.mol

Synonyms:A 8947;A-8947;A8947;N-(((4,6-dimethoxy-2-pyrimidinyl)amino)carbonyl)-1-methyl-4-(2-methyl-2H-tetrazol-5-yl)-1H-pyrazole-5-sulfonamide

Chemical Property of Azimsulfuron

Chemical Property:

• Melting Point: 170°
• Refractive Index: 1.759
• PKA: 3.6(at 25℃)
• PSA: 189.31000
• Density: 1.75 g/cm³
• LogP: 0.47290
• Storage Temp.: 0-6°C
• Solubility.: Solubility in organic solvents (g/l at 25 °C) Acetone 26.4 Acetonitrile 13.9 Ethyl acetate 13.0 Dichloromethane 65.9 n‐Hexane <0.2 Methanol 2.1 Toluene 1.8
• Water Solubility.: Solubility in water (g/l at 20 °C): 0.072 (pH 5) 1.050 (pH 7) 6.536 (pH 9).
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 6
• Exact Mass: 424.10258482
• Heavy Atom Count: 29
• Complexity: 665

Purity/Quality:

98% ^*data from raw suppliers

Azimsulfuron PESTANAL ^*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: CN1C(=C(C=N1)C2=NN(N=N2)C)S(=O)(=O)NC(=O)NC3=NC(=CC(=N3)OC)OC
• Uses: Herbicide. Azimsulfuron may be used as an analytical reference standard for the determination of the pesticide in:Paddy field water by direct injection using liquid chromatography-hybrid triple quadrupole-linear ion trap-mass spectrometry (LC-QqLIT-MS).Tap and leaching water samples by solid-phase extraction (SPE), followed by LC coupled to tandem mass spectrometry (LC-MS/MS).

Technology Process of Azimsulfuron

There total 13 articles about Azimsulfuron 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: 94.0%

O-phenyl N-(4,6-dimethoxypyrimidin-2-yl)carbamate (89392-03-0) + 1-methyl-4-(2-methyl-2H-tetrazole-5-yl)-1H-pyrazole-5-sulfonamide → azimsulfuron (120162-55-2)

Guidance literature:

With triethylamine; In acetonitrile; at 20 - 30 ℃; for 1h;

Reference yield:

5-amino-4-cyano-1-methylpyrazole (5334-41-8) → azimsulfuron (120162-55-2)

Guidance literature:

Multi-step reaction with 7 steps

1.1: hydrogenchloride; sodium nitrite / water / 0 - 5 °C

1.2: 0 - 20 °C

2.1: ammonium chloride; sodium azide / N,N-dimethyl-formamide / 100 - 140 °C

3.1: potassium carbonate / acetone / 1 h / 20 - 30 °C

3.2: 1 h / 20 - 30 °C

4.1: sodium hydride / N,N-dimethyl-formamide; mineral oil / 2 h / 20 - 25 °C / Inert atmosphere

5.1: acetic acid; chlorine / water / 0 - 10 °C

6.1: ammonia / water; 1,2-dichloro-ethane / 20 - 30 °C

7.1: triethylamine / acetonitrile / 1 h / 20 - 30 °C

With hydrogenchloride; sodium azide; ammonia; chlorine; sodium hydride; potassium carbonate; ammonium chloride; acetic acid; triethylamine; sodium nitrite; In water; 1,2-dichloro-ethane; N,N-dimethyl-formamide; acetone; acetonitrile; mineral oil;

Reference yield:

2-methyl-5-(1-methyl-1H-pyrazol-4-yl)-2H-tetrazole → azimsulfuron (120162-55-2)

Guidance literature:

Multi-step reaction with 5 steps

1: N-chloro-succinimide / acetonitrile / 0.5 h / 60 °C

2: sodium hydride / N,N-dimethyl-formamide; mineral oil / 2 h / 20 - 25 °C / Inert atmosphere

3: acetic acid; chlorine / water / 0 - 10 °C

4: ammonia / water; 1,2-dichloro-ethane / 20 - 30 °C

5: triethylamine / acetonitrile / 1 h / 20 - 30 °C

With N-chloro-succinimide; ammonia; chlorine; sodium hydride; acetic acid; triethylamine; In water; 1,2-dichloro-ethane; N,N-dimethyl-formamide; acetonitrile; mineral oil;

upstream raw materials:

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

5-amino-4-cyano-1-methylpyrazole

5-chloro-1-methyl-1H-pyrazole-4-carbonitrile

5-bromo-1-methyl-1H-pyrazole-4-carbonitrile

Refernces

• 1、 -. "PROCESS OF PREPARATION OF AZIMSULFURON". . . Retrieved 2015/04/28.