4,6-Dimethyl-2-(methylamino)nicotinonitrile

Base Information

• Chemical Name: 4,6-Dimethyl-2-(methylamino)nicotinonitrile
• CAS No.: 783325-61-1
• Molecular Formula: C₉H₁₁N₃
• Molecular Weight: 161.206
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID30477281
• Wikidata: Q82309673
• Mol file: 783325-61-1.mol

Synonyms:4,6-dimethyl-2-(methylamino)nicotinonitrile;783325-61-1;4,6-dimethyl-2-(methylamino)pyridine-3-carbonitrile;MFCD04038974;SCHEMBL14471354;DTXSID30477281;AKOS005135899;4,6-dimethyl-2-methylaminonicotinonitrile;CS-0248252;EN300-39499;Z385459402

Chemical Property of 4,6-Dimethyl-2-(methylamino)nicotinonitrile

Chemical Property:

• Melting Point: 146-149
• PSA: 48.71000
• LogP: 1.68478
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 161.095297364
• Heavy Atom Count: 12
• Complexity: 193

Purity/Quality:

98% ^*data from raw suppliers

4,6-dimethyl-2-(methylamino)pyridine-3-carbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=NC(=C1C#N)NC)C

Technology Process of 4,6-Dimethyl-2-(methylamino)nicotinonitrile

There total 9 articles about 4,6-Dimethyl-2-(methylamino)nicotinonitrile 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: 90.0%

2-(cyanomethyl)-1,4,6-trimethylpyrimidinium iodide → 4,6-dimethyl-2-methylaminonicotinonitrile (783325-61-1)

Guidance literature:

With sodium ethanolate; In ethanol; at 20 ℃; for 0.5h;

DOI:10.1023/B:COHC.0000033539.37576.76

Reference yield: 90.0%

methylamine (74-89-5) + acetylacetone (123-54-6,81235-32-7) + malononitrile (109-77-3) → 4,6-dimethyl-2-methylaminonicotinonitrile (783325-61-1)

Guidance literature:

With Benzohydroxamic acid; In dichloromethane; at 20 ℃; for 7h; Reagent/catalyst; Time;

DOI:10.3987/COM-12-12566

Reference yield: 81.0%

2-chloro-4,6-dimethylnicotinonitrile (14237-71-9) + methylamine (74-89-5) → 4,6-dimethyl-2-methylaminonicotinonitrile (783325-61-1)

Guidance literature:

With sodium carbonate; In ethanol; for 3h; Reflux;

DOI:10.1002/jhet.1020

upstream raw materials:

2-(cyanomethylene)-4,6-dimethylpyrimidine

2-(carbamoylmethyl)-4,6-dimethylpyrimidine

methylamine

acetylacetone

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