3-Amino-6-methylpicolinonitrile

Base Information

• Chemical Name: 3-Amino-6-methylpicolinonitrile
• CAS No.: 187242-93-9
• Molecular Formula: C7H7 N3
• Molecular Weight: 133.15
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID30442631
• Wikidata: Q82260013
• Mol file: 187242-93-9.mol

Synonyms:3-AMINO-6-METHYLPICOLINONITRILE;187242-93-9;3-Amino-6-methylpyridine-2-carbonitrile;2-Pyridinecarbonitrile,3-amino-6-methyl-(9CI);SCHEMBL21816291;DTXSID30442631;AKOS006286212;SB55123;CS-0448885;2-PYRIDINECARBONITRILE,3-AMINO-6-METHYL-

Chemical Property of 3-Amino-6-methylpicolinonitrile

Chemical Property:

• PSA: 62.70000
• LogP: 1.42508
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 133.063997236
• Heavy Atom Count: 10
• Complexity: 158

Purity/Quality:

99%min ^*data from raw suppliers

3-Amino-6-methylpicolinonitrile 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC(=C(C=C1)N)C#N

Technology Process of 3-Amino-6-methylpicolinonitrile

There total 9 articles about 3-Amino-6-methylpicolinonitrile 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: 96.0%

6-methyl-3-nitro-pyridine-2-carbonitrile (187242-90-6) → 3-amino-6-methyl-pyridine-2-carbonitrile (187242-93-9)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethyl acetate; for 7.5h; under 2700.2 Torr; Ambient temperature;

DOI:10.1002/jhet.5570330643

Reference yield: 56.0%

potassiumhexacyanoferrate(II) trihydrate + 3-amino-2-bromo-6-methylpyridine (126325-53-9) → 3-amino-6-methyl-pyridine-2-carbonitrile (187242-93-9)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; 1,8-diazabicyclo[5.4.0]undec-7-ene; In water; tert-butyl alcohol; at 90 ℃; for 16h;

Reference yield:

2-chloro-6-methyl-3-nitropyridine (56057-19-3) → 3-amino-6-methyl-pyridine-2-carbonitrile (187242-93-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 49 percent / dimethylformamide / 6 h / Heating

2: 96 percent / H₂ / 10percent Pd/C / ethyl acetate / 7.5 h / 2700.2 Torr / Ambient temperature

With hydrogen; palladium on activated charcoal; In ethyl acetate; N,N-dimethyl-formamide;

DOI:10.1002/jhet.5570330643

upstream raw materials:

6-methyl-3-nitro-pyridine-2-carbonitrile

ethyl 2-amino-6-methylnicotinate

ethyl 2-chloro-6-methyl-3-pyridinecarboxylate

2-chloro-6-methyl-3-nitropyridine

Refernces

• 1、 -. "Monoacylglycerol Lipase Modulators". Paragraph 0410; 0633. . Retrieved 2020/04/24.