6-Phenyl-2-sulfanylpyridine-3-carbonitrile

Base Information

• Chemical Name: 6-Phenyl-2-sulfanylpyridine-3-carbonitrile
• CAS No.: 92126-72-2
• Molecular Formula: C12H8N2S
• Molecular Weight: 212.275
• DSSTox Substance ID: DTXSID10354889
• Nikkaji Number: J525.956H
• Wikidata: Q82133368
• Mol file: 92126-72-2.mol

Synonyms:92126-72-2;6-phenyl-2-sulfanylpyridine-3-carbonitrile;6-phenyl-2-sulfanylidene-1H-pyridine-3-carbonitrile;6-phenyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile;2-mercapto-6-phenylnicotinonitrile;CBMicro_016312;Oprea1_052745;Oprea1_134270;SCHEMBL12970357;SCHEMBL19805092;XJUANYPYIQLJEC-UHFFFAOYSA-;DTXSID10354889;CCG-5341;STL146188;AKOS002667709;AKOS003598895;BIM-0016302.P001;2-mercapto-6-phenylpyridine-3-carbonitrile;CS-0261129;EN300-77209;F0176-0164;Z276158636;5273-92-7;InChI=1/C12H8N2S/c13-8-10-6-7-11(14-12(10)15)9-4-2-1-3-5-9/h1-7H,(H,14,15)

Chemical Property of 6-Phenyl-2-sulfanylpyridine-3-carbonitrile

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 212.04081944
• Heavy Atom Count: 15
• Complexity: 378

Purity/Quality:

99% ^*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=CC=C(C(=S)N2)C#N

Technology Process of 6-Phenyl-2-sulfanylpyridine-3-carbonitrile

There total 15 articles about 6-Phenyl-2-sulfanylpyridine-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: 93.0%

1-phenyl-3-dimethylaminoprop-2-enone (1201-93-0) + Cyanothioacetamide (7357-70-2) → 6-phenyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile (92126-72-2)

Guidance literature:

With 1,4-diaza-bicyclo[2.2.2]octane; In ethanol; Reflux;

DOI:10.1080/00397911.2010.541964

Reference yield: 74.0%

1-phenyl-3-(piperidin-1-yl)prop-2-en-1-one (4452-12-4) + Cyanothioacetamide (7357-70-2) → 6-phenyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile (92126-72-2)

Guidance literature:

With acetic acid; In ethanol; Heating;

DOI:10.1007/BF00475603

Reference yield: 73.0%

Cyanothioacetamide (7357-70-2) + (E)-3-(N,N-dimethylamino)-1-phenyl-2-propen-1-one (1131-80-2,1201-93-0,31919-75-2) → 6-phenyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile (92126-72-2)

Guidance literature:

With sodium ethanolate; In ethanol; for 4h; Heating;

DOI:10.1080/00304949709355198

upstream raw materials:

1-phenyl-3-(piperidin-1-yl)prop-2-en-1-one

Cyanothioacetamide

benzoylacetaldehyde sodium salt

(E)-3-(N,N-dimethylamino)-1-phenyl-2-propen-1-one

Downstream raw materials:

4-(3-cyano-6-phenyl-pyridin-2-ylsulfanyl)-3-oxo-butyric acid ethyl ester

C₁₈H₁₇N₃O₂S

3-amino-6-phenylthieno[2,3-b]pyridine-2-carboxamide

3-Amino-6-phenyl-thieno<2,3-b>pyridin-2-carbonitril