2-(Cyclohexylamino)isonicotinonitrile

Base Information

• Chemical Name: 2-(Cyclohexylamino)isonicotinonitrile
• CAS No.: 127680-82-4
• Molecular Formula: C12H15N3
• Molecular Weight: 201.271
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID60562492
• Nikkaji Number: J2.901.628C
• Wikidata: Q82446678
• Mol file: 127680-82-4.mol

Synonyms:2-(cyclohexylamino)isonicotinonitrile;127680-82-4;2-(cyclohexylamino)pyridine-4-carbonitrile;SCHEMBL19520789;DTXSID60562492;AKOS000191320;J-506340

Chemical Property of 2-(Cyclohexylamino)isonicotinonitrile

Chemical Property:

• PSA: 48.71000
• LogP: 2.77088
• Storage Temp.: 2-8°C
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 201.126597491
• Heavy Atom Count: 15
• Complexity: 237

Purity/Quality:

97% ^*data from raw suppliers

2-(Cyclohexylamino)isonicotinonitrile 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)NC2=NC=CC(=C2)C#N

Technology Process of 2-(Cyclohexylamino)isonicotinonitrile

There total 2 articles about 2-(Cyclohexylamino)isonicotinonitrile 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: 57.0%

4-cyanopyridine N-oxide (14906-59-3) + cyclohexylamine (108-91-8,157973-60-9) → 2-(cyclohexylamino)isonicotinonitrile (127680-82-4)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; bromo-tris(1-pyrrolidinyl)phosphonium hexafluorophosphate; In dichloromethane; at 25 ℃; for 15h;

DOI:10.1021/ol102301u

Reference yield:

2,4-Dicyanopyridine (29181-50-8) + cyclohexylamine (108-91-8,157973-60-9) → 2-Cyanopyridine (100-70-9,1232006-36-8) + 4-Cyclohexylamino-pyridine-2-carbonitrile (127680-81-3) + 2-(cyclohexylamino)isonicotinonitrile (127680-82-4)

Guidance literature:

In water; acetonitrile; for 2.5h; Yield given. Yields of byproduct given; Irradiation;

DOI:10.1039/P19900000097

upstream raw materials:

2,4-Dicyanopyridine

cyclohexylamine

4-cyanopyridine N-oxide