2-(Isopropylamino)nicotinonitrile

Base Information

• Chemical Name: 2-(Isopropylamino)nicotinonitrile
• CAS No.: 28721-27-9
• Molecular Formula: C9H11N3
• Molecular Weight: 161.206
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID60439892
• Wikidata: Q82255992
• Mol file: 28721-27-9.mol

Synonyms:2-(ISOPROPYLAMINO)NICOTINONITRILE;28721-27-9;2-(propan-2-ylamino)pyridine-3-carbonitrile;2-[(propan-2-yl)amino]pyridine-3-carbonitrile;SCHEMBL3392697;DTXSID60439892;MFCD09939041;AKOS000179213;SB53004;CS-0207853;EN300-76616;A876647;Z31191155

Chemical Property of 2-(Isopropylamino)nicotinonitrile

Chemical Property:

• PSA: 48.71000
• LogP: 1.84658
• Storage Temp.: 2-8°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 161.095297364
• Heavy Atom Count: 12
• Complexity: 180

Purity/Quality:

97% ^*data from raw suppliers

2-(Isopropylamino)nicotinonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)NC1=C(C=CC=N1)C#N

Technology Process of 2-(Isopropylamino)nicotinonitrile

There total 2 articles about 2-(Isopropylamino)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:

Pyridine-2,3-dicarbonitrile (17132-78-4) + isopropylamine (75-31-0) → pyridine-3-carbonitrile (100-54-9,121697-66-3,1232169-17-3,68271-95-4) + 2-isopropylamino-nicotinonitrile (28721-27-9) + 6-(isopropylamino)nicotinonitrile (160017-00-5) + 6-Isopropylamino-pyridine-2,3-dicarbonitrile

Guidance literature:

In acetonitrile; for 4h; Yield given. Yields of byproduct given; Irradiation;

Reference yield:

→ 2-isopropylamino-nicotinonitrile (28721-27-9)

Guidance literature:

2-Chlornicotinonitril, Isopropylamin;

DOI:10.1021/jm00252a013

upstream raw materials:

Pyridine-2,3-dicarbonitrile

isopropylamine