2-(Methylsulfanyl)-4,6-diphenylnicotinonitrile

Base Information

• Chemical Name: 2-(Methylsulfanyl)-4,6-diphenylnicotinonitrile
• CAS No.: 90732-63-1
• Molecular Formula: C19H14N2S
• Molecular Weight: 302.39300
• DSSTox Substance ID: DTXSID00355966
• Wikidata: Q82135067
• ChEMBL ID: CHEMBL3793346
• Mol file: 90732-63-1.mol

Synonyms:2-(methylsulfanyl)-4,6-diphenylnicotinonitrile;90732-63-1;3-Pyridinecarbonitrile, 2-(methylthio)-4,6-diphenyl-;CHEMBL3793346;DTXSID00355966;TQP1392;STK056170;AKOS000487123;2-(Methylthio)-4,6-diphenylnicotinonitrile;SR-01000511128;SR-01000511128-1;2-(methylsulfanyl)-4,6-diphenylpyridine-3-carbonitrile

Chemical Property of 2-(Methylsulfanyl)-4,6-diphenylnicotinonitrile

Chemical Property:

• PSA: 61.98000
• LogP: 5.00918
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 302.08776963
• Heavy Atom Count: 22
• Complexity: 390

Purity/Quality:

2-(methylsulfanyl)-4,6-diphenylnicotinonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=C(C(=CC(=N1)C2=CC=CC=C2)C3=CC=CC=C3)C#N

Technology Process of 2-(Methylsulfanyl)-4,6-diphenylnicotinonitrile

There total 4 articles about 2-(Methylsulfanyl)-4,6-diphenylnicotinonitrile 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: 40.0%

1,3-diphenyl-propen-3-one (614-47-1) + malononitrile (109-77-3) + sodium thiomethoxide (5188-07-8) → 4,6-diphenyl-2-methylthiopyridine-3-carbonitrile (90732-63-1)

Guidance literature:

In ethanol; for 7h; Ambient temperature;

Reference yield: 34.0%

4,6-diphenylpyridine-2-thiol (62219-32-3) + methyl iodide (74-88-4) → 4,6-diphenyl-2-methylthiopyridine-3-carbonitrile (90732-63-1)

Guidance literature:

4,6-diphenylpyridine-2-thiol; With tetra-(n-butyl)ammonium iodide; caesium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 1h;

methyl iodide; In N,N-dimethyl-formamide; at 0 - 20 ℃; for 2h;

DOI:10.1021/acs.jmedchem.5b01935

Reference yield:

2-methylthio-3-cyano-4,6-diphenyl-1,4-dihydropyridine (92944-44-0) → 4,6-diphenyl-2-methylthiopyridine-3-carbonitrile (90732-63-1)

Guidance literature:

With sodium nitrite; In acetic acid;

DOI:10.1007/BF00513589

upstream raw materials:

2-methylthio-3-cyano-4,6-diphenyl-1,4-dihydropyridine

1,3-diphenyl-propen-3-one

malononitrile

sodium thiomethoxide

Downstream raw materials:

C-(2-methylsulfanyl-4,6-diphenyl-pyridin-3-yl)-methylamine

C₂₃H₂₂N₂O₂S

2-cyanamino-4,6-diphenylpyridine-3-carbonitrile

4,6-diphenyl-2-methylsulphonylpyridine-3-carbonitrile

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