4H-Thiopyran-4-one, 2-(4-methylphenyl)-6-phenyl-, 1,1-dioxide

Base Information

• Chemical Name: 4H-Thiopyran-4-one, 2-(4-methylphenyl)-6-phenyl-, 1,1-dioxide
• CAS No.: 135215-37-1
• Molecular Formula: C18H14O3S
• Molecular Weight: 310.373
• DSSTox Substance ID: DTXSID40565683
• Wikidata: Q82450905
• Mol file: 135215-37-1.mol

Synonyms:135215-37-1;4H-Thiopyran-4-one, 2-(4-methylphenyl)-6-phenyl-, 1,1-dioxide;SCHEMBL9162032;2-(4-methylphenyl)-1,1-dioxo-6-phenylthiopyran-4-one;DTXSID40565683;2-Phenyl-6-(p-tolyl)-4H-thiopyran-4-one 1,1-dioxide;2-(4-Methylphenyl)-6-phenyl-1lambda~6~-thiopyran-1,1,4-trione

Chemical Property of 4H-Thiopyran-4-one, 2-(4-methylphenyl)-6-phenyl-, 1,1-dioxide

Chemical Property:

• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 310.06636548
• Heavy Atom Count: 22
• Complexity: 593

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: CC1=CC=C(C=C1)C2=CC(=O)C=C(S2(=O)=O)C3=CC=CC=C3

Technology Process of 4H-Thiopyran-4-one, 2-(4-methylphenyl)-6-phenyl-, 1,1-dioxide

There total 1 articles about 4H-Thiopyran-4-one, 2-(4-methylphenyl)-6-phenyl-, 1,1-dioxide 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: 59.0%

2-phenyl-6-p-tolyl-4H-thiopyran-4-thione (154316-32-2) → 1,1-Dioxo-2-phenyl-6-p-tolyl-1H-1λ6-thiopyran-4-one (135215-37-1)

Guidance literature:

With dihydrogen peroxide; In acetic acid; at 100 ℃; for 3h;

Reference yield: 80.0%

1,1-Dioxo-2-phenyl-6-p-tolyl-1H-1λ6-thiopyran-4-one (135215-37-1) + malononitrile (109-77-3) → 4H-1,1-dioxo-4-dicyano-methylidene-2-p-tolyl-6-phenylthiopyran (135215-38-2)

Guidance literature:

With piperidine; In ethanol; for 4h; Heating;

DOI:10.1021/jo00111a028

Reference yield: 73.0%

phenylhydrazine (100-63-0) + 1,1-Dioxo-2-phenyl-6-p-tolyl-1H-1λ6-thiopyran-4-one (135215-37-1) → N-[1,1-Dioxo-2-phenyl-6-p-tolyl-1H-1λ6-thiopyran-(4Z)-ylidene]-N'-phenyl-hydrazine

Guidance literature:

In ethanol; for 3h; Ambient temperature;

upstream raw materials:

2-phenyl-6-p-tolyl-4H-thiopyran-4-thione

Downstream raw materials:

4H-1,1-dioxo-4-dicyano-methylidene-2-p-tolyl-6-phenylthiopyran

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