Amezinium metilsulfate

Base Information

• Chemical Name: Amezinium metilsulfate
• CAS No.: 30578-37-1
• Molecular Formula: C11H12N3O^.CH3O4S
• Molecular Weight: 313.334
• Hs Code.: 2933990090
• European Community (EC) Number: 250-248-0
• UNII: 03NR868ICX
• DSSTox Substance ID: DTXSID00184657
• Wikipedia: Amezinium_metilsulfate
• NCI Thesaurus Code: C72918
• Metabolomics Workbench ID: 154148
• ChEMBL ID: CHEMBL2106667
• Mol file: 30578-37-1.mol

Synonyms:4-amino-6-methoxy-1-phenylpyridazinium methylsulfate;amezinium;amezinium chloride;amezinium methyl sulfate;amezinium metisulfate;amezinium triflouoacetate salt (1:1);LU 1631;Regulton;Supratonin

Chemical Property of Amezinium metilsulfate

Chemical Property:

• Melting Point: 176° (dec)
• PSA: 126.83000
• LogP: 1.70410
• Storage Temp.: Inert atmosphere,Room Temperature
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 313.07324176
• Heavy Atom Count: 21
• Complexity: 285

Purity/Quality:

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

Amezinium Methyl Sulfate >98.0%(HPLC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=[N+](N=CC(=C1)N)C2=CC=CC=C2.COS(=O)(=O)[O-]

Technology Process of Amezinium metilsulfate

There total 3 articles about Amezinium metilsulfate 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: 61.4%

5-amino-2-phenyl-3(2H)-pyridazinone (13589-77-0) + dimethyl sulfate (77-78-1) → 4-amino-6-methoxy-1-phenyl-pyridazinium methyl sulfate (30578-37-1)

Guidance literature:

In chloroform; for 0.5h; Heating;

Reference yield:

chloridazon (1698-60-8,58858-18-7) → 4-amino-6-methoxy-1-phenyl-pyridazinium methyl sulfate (30578-37-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 90 percent / H₂ / Raney nickel / aq. NH₃ / 110 °C / 37503 Torr

2: 61.4 percent / CHCl₃ / 0.5 h / Heating

With hydrogen; nickel; In ammonium hydroxide; chloroform;

Reference yield:

4,5-dichloro-1-phenylpyridazin-6-one (1698-53-9) + dimethyl sulfate (77-78-1) → 4-amino-6-methoxy-1-phenyl-pyridazinium methyl sulfate (30578-37-1)

Guidance literature:

Multistep reaction;

upstream raw materials:

4,5-dichloro-1-phenylpyridazin-6-one

dimethyl sulfate

5-amino-2-phenyl-3(2H)-pyridazinone

chloridazon

Downstream raw materials:

6-Methoxy-1-phenyl-1H-pyridazin-4-ylideneamine

Refernces

• 1、 Koenig. "Changes in drug chemistry: problems and possibilities". . p. 802 - 815. Retrieved 2007/10/02.