N-methyl-1-pyridazin-4-ylmethanamine

Base Information

• Chemical Name: N-methyl-1-pyridazin-4-ylmethanamine
• CAS No.: 165558-81-6
• Molecular Formula: C₆H₉N₃
• Molecular Weight: 123.158
• DSSTox Substance ID: DTXSID30438099
• Nikkaji Number: J3.227.154E
• Mol file: 165558-81-6.mol

Synonyms:N-METHYL-4-AMINOMETHYLPYRIDAZINE;165558-81-6;N-methyl-1-pyridazin-4-ylmethanamine;METHYL(PYRIDAZIN-4-YLMETHYL)AMINE;SCHEMBL9055053;DTXSID30438099;N-Methylpyridazine-4-methaneamine;AKOS006378757;N-Methyl-1-(pyridazin-4-yl)methanamine;CS-0055148;P12145;F2147-1592

Chemical Property of N-methyl-1-pyridazin-4-ylmethanamine

Chemical Property:

• XLogP3: -0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 123.079647300
• Heavy Atom Count: 9
• Complexity: 74.7

Purity/Quality:

97% ^*data from raw suppliers

N-Methyl-4-aminomethylpyridazine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CNCC1=CN=NC=C1

Technology Process of N-methyl-1-pyridazin-4-ylmethanamine

There total 2 articles about N-methyl-1-pyridazin-4-ylmethanamine 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:

4-hydroxymethylpyridazine (50901-43-4) → methyl(pyridazinylmethyl)amine (165558-81-6)

Guidance literature:

Multi-step reaction with 2 steps

1: SOCl₂ / CH₂Cl₂ / 0.17 h / 0 °C

2: tetrahydrofuran; H₂O / 0.17 h / Ambient temperature

With thionyl chloride; In tetrahydrofuran; dichloromethane; water;

DOI:10.1021/jm00011a009

Reference yield:

4-(chloromethyl)pyridazine (94693-72-8) + methylamine (74-89-5) → methyl(pyridazinylmethyl)amine (165558-81-6)

Guidance literature:

In tetrahydrofuran; water; for 0.166667h; Yield given; Ambient temperature;

DOI:10.1021/jm00011a009

Reference yield: 24.0%

methyl(pyridazinylmethyl)amine (165558-81-6) + 5-chloro-8-nitronaphthalene-1-carbonitrile (165558-63-4) → 5--8-nitronaphthalene-1-carbonitrile (165558-66-7)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In dimethyl sulfoxide; at 85 ℃; for 6h;

DOI:10.1021/jm00011a009

upstream raw materials:

4-(chloromethyl)pyridazine

methylamine

4-hydroxymethylpyridazine

Downstream raw materials:

5--8-nitronaphthalene-1-carbonitrile