2-Amino-4-phenyl-6-phenylsulfanylpyridine-3,5-dicarbonitrile

Base Information

• Chemical Name: 2-Amino-4-phenyl-6-phenylsulfanylpyridine-3,5-dicarbonitrile
• CAS No.: 79359-40-3
• Molecular Formula: C19H12N4S
• Molecular Weight: 328.397
• DSSTox Substance ID: DTXSID60400143
• Nikkaji Number: J2.295.800C
• ChEMBL ID: CHEMBL198346
• Mol file: 79359-40-3.mol

Synonyms:2-amino-4-phenyl-6-phenylsulfanylpyridine-3,5-dicarbonitrile;CHEMBL198346;79359-40-3;SCHEMBL245593;DTXSID60400143;JMYXUNDVJSFZGO-UHFFFAOYSA-N;2-amino-4-phenyl-6-phenylsulfanyl-pyridine-3,5-dicarbonitrile;BDBM50324064;AKOS024367058;NCGC00188752-01;2-Amino-4-phenyl-6-(phenylthio)-3,5-dicyanopyridine;2-Amino-4-phenyl-6-(phenylthio)pyridine-3,5-dicarbonitrile;2-amino-4-phenyl-6-(phenylsulfanyl)-3,5-pyridinedicarbonitrile;2-amino-4-phenyl-6-(phenylsulfanyl)pyridine-3,5-dicarbonitrile

Chemical Property of 2-Amino-4-phenyl-6-phenylsulfanylpyridine-3,5-dicarbonitrile

Chemical Property:

• XLogP3: 4.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 328.07826757
• Heavy Atom Count: 24
• Complexity: 506

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SC3=CC=CC=C3)N)C#N

Technology Process of 2-Amino-4-phenyl-6-phenylsulfanylpyridine-3,5-dicarbonitrile

There total 12 articles about 2-Amino-4-phenyl-6-phenylsulfanylpyridine-3,5-dicarbonitrile 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: 98.0%

benzaldehyde (100-52-7) + thiophenol (108-98-5) + malononitrile (109-77-3) → 2-amino-4-phenyl-6-phenylsulfanyl-pyridine-3,5-dicarbonitrile (79359-40-3)

Guidance literature:

With natural dolomitic limestone; In ethanol; water; at 45 - 50 ℃; for 0.5h; Sonication; Green chemistry;

DOI:10.3762/BJOC.16.156

Reference yield: 36.0%

Benzylidenemalononitrile (2700-22-3) + thiophenol (108-98-5) + malononitrile (109-77-3) → 2-amino-4-phenyl-6-phenylsulfanyl-pyridine-3,5-dicarbonitrile (79359-40-3)

Guidance literature:

With triethylamine; In ethanol; for 2h; Reflux;

DOI:10.1002/cmdc.201700151

Reference yield: 35.0%

benzaldehyde (100-52-7) + thiophenol (108-98-5) + malononitrile (109-77-3) → (E/Z)-3-amino-2-benzyl-3-(phenylsulfanyl)acrylonitrile + 2-amino-4-phenyl-6-phenylsulfanyl-pyridine-3,5-dicarbonitrile (79359-40-3)

Guidance literature:

With triethylamine; In ethanol; Heating;

DOI:10.1021/ol052994+

upstream raw materials:

Benzylidenemalononitrile

thiophenol

malononitrile

benzaldehyde

Downstream raw materials:

2-amino-4-phenyl-6-(phenylthio)pyridine-3,5-dicarbonitrile

2-(1,3-diphenylprop-2-ynylamino)-4-phenyl-6-(phenylthio)pyridine-3,5-dicarbonitrile

3-benzyl-2,7-diphenyl-5-(phenylthio)imidazo[1,2-a]pyridine-6,8-dicarbonitrile

4-phenyl-2-sulfanylpyridine-3,5-dicarbonitrile