2-(2-Hydroxypropylamino)-6-methyl-5-phenylpyridine-3-carbonitrile

Base Information

• Chemical Name: 2-(2-Hydroxypropylamino)-6-methyl-5-phenylpyridine-3-carbonitrile
• CAS No.: 108611-24-1
• Molecular Formula: C₁₆H₁₇N₃O
• Molecular Weight: 267.33
• DSSTox Substance ID: DTXSID40874787
• Nikkaji Number: J1.555.939J
• Mol file: 108611-24-1.mol

Synonyms:108611-24-1;SCHEMBL7291749;DTXSID40874787;3-PYRIDINECARBONITRILE, 2-[(2-HYDROXYPROPYL)AMIN

Chemical Property of 2-(2-Hydroxypropylamino)-6-methyl-5-phenylpyridine-3-carbonitrile

Chemical Property:

• XLogP3: 3.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 267.137162174
• Heavy Atom Count: 20
• Complexity: 345

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C=C(C(=N1)NCC(C)O)C#N)C2=CC=CC=C2

Technology Process of 2-(2-Hydroxypropylamino)-6-methyl-5-phenylpyridine-3-carbonitrile

There total 2 articles about 2-(2-Hydroxypropylamino)-6-methyl-5-phenylpyridine-3-carbonitrile 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: 80.0%

2-Chlor-3-cyan-6-methyl-5-phenylpyridin (10176-63-3) + 3-amino-2-propanol (78-96-6,1674-56-2) → 2-(2-Hydroxy-propylamino)-6-methyl-5-phenyl-nicotinonitrile (108611-24-1)

Guidance literature:

In various solvent(s); for 16h; Heating;

Reference yield:

6-methyl-5-phenylpyrid-2-one-3-carbonitrile (4241-12-7) → 2-(2-Hydroxy-propylamino)-6-methyl-5-phenyl-nicotinonitrile (108611-24-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 44 percent / POCl₃ / dimethylformamide / 8 h / Heating

2: 80 percent / various solvent(s) / 16 h / Heating

With trichlorophosphate; In N,N-dimethyl-formamide;

Reference yield: 90.0%

2-(2-Hydroxy-propylamino)-6-methyl-5-phenyl-nicotinonitrile (108611-24-1) + acetic anhydride (108-24-7) → Acetic acid 2-(3-cyano-6-methyl-5-phenyl-pyridin-2-ylamino)-1-methyl-ethyl ester (108611-32-1)

Guidance literature:

With pyridine; for 1h; Heating;

upstream raw materials:

2-Chlor-3-cyan-6-methyl-5-phenylpyridin

3-amino-2-propanol

6-methyl-5-phenylpyrid-2-one-3-carbonitrile

Downstream raw materials:

Acetic acid 2-(3-cyano-6-methyl-5-phenyl-pyridin-2-ylamino)-1-methyl-ethyl ester