6-Hydroxy-2-oxo-4,6-diphenylpiperidine-3-carbothioamide

Base Information

• Chemical Name: 6-Hydroxy-2-oxo-4,6-diphenylpiperidine-3-carbothioamide
• CAS No.: 111421-97-7
• Molecular Formula: C18H18N2O2S
• Molecular Weight: 326.419
• DSSTox Substance ID: DTXSID10559392
• Mol file: 111421-97-7.mol

Synonyms:111421-97-7;6-Hydroxy-2-oxo-4,6-diphenylpiperidine-3-carbothioamide;DTXSID10559392

Chemical Property of 6-Hydroxy-2-oxo-4,6-diphenylpiperidine-3-carbothioamide

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 326.10889899
• Heavy Atom Count: 23
• Complexity: 458

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(C(C(=O)NC1(C2=CC=CC=C2)O)C(=S)N)C3=CC=CC=C3

Technology Process of 6-Hydroxy-2-oxo-4,6-diphenylpiperidine-3-carbothioamide

There total 1 articles about 6-Hydroxy-2-oxo-4,6-diphenylpiperidine-3-carbothioamide 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: 83.0%

2-thiocarbamoylacetamide (72410-06-1) + benzalacetophenone (94-41-7) → 6-Hydroxy-4,6-diphenyl-3-thiocarbamoyl-3,4,5,6-tetrahydropyridine-2(1H)-one (111421-97-7)

Guidance literature:

With piperidine; In ethanol; for 1h; Ambient temperature;

DOI:10.1007/BF00470024

Reference yield: 75.0%

6-Hydroxy-4,6-diphenyl-3-thiocarbamoyl-3,4,5,6-tetrahydropyridine-2(1H)-one (111421-97-7) → 4,6-Diphenyl-3-thiocarbamoyl-3,4-dihydropyridine-2(1H)-one (126292-07-7)

Guidance literature:

With hydrogenchloride; In ethanol; for 1h; Ambient temperature;

DOI:10.1007/BF00470024

Reference yield: 60.0%

6-Hydroxy-4,6-diphenyl-3-thiocarbamoyl-3,4,5,6-tetrahydropyridine-2(1H)-one (111421-97-7) + dimethyl sulfate (77-78-1) → 4,6-Diphenyl-3-methylthiocarbonyl-3,4-dihydropyridine-2(1H)-one (126292-09-9)

Guidance literature:

With piperidine; In ethanol; for 0.25h; Heating;

DOI:10.1007/BF00470024

upstream raw materials:

2-thiocarbamoylacetamide

benzalacetophenone

Downstream raw materials:

4,6-Diphenyl-3-thiocarbamoyl-3,4-dihydropyridine-2(1H)-one

4,6-Diphenyl-3-methylthiocarbonyl-3,4-dihydropyridine-2(1H)-one

2-oxo-4,6-diphenyl-1,2,3,4-tetrahydropyridine-3-carbonitrile

4,6-Diphenyl-3-methylthiocarbonylpyridine-2(1H)-one

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