4H-Thiopyran-4-one, 2,3-dihydro-2-phenyl-6-(phenylamino)-

Base Information

• Chemical Name: 4H-Thiopyran-4-one, 2,3-dihydro-2-phenyl-6-(phenylamino)-
• CAS No.: 66955-65-5
• Molecular Formula: C17H15NOS
• Molecular Weight: 281.378
• DSSTox Substance ID: DTXSID10470851
• Nikkaji Number: J2.433.599B
• Mol file: 66955-65-5.mol

Synonyms:66955-65-5;4H-Thiopyran-4-one, 2,3-dihydro-2-phenyl-6-(phenylamino)-;DTXSID10470851;2-phenyl-6-phenylamino-2,3-dihydrothiopyran-4-one

Chemical Property of 4H-Thiopyran-4-one, 2,3-dihydro-2-phenyl-6-(phenylamino)-

Chemical Property:

• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 281.08743528
• Heavy Atom Count: 20
• Complexity: 367

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: C1C(SC(=CC1=O)NC2=CC=CC=C2)C3=CC=CC=C3

Technology Process of 4H-Thiopyran-4-one, 2,3-dihydro-2-phenyl-6-(phenylamino)-

There total 4 articles about 4H-Thiopyran-4-one, 2,3-dihydro-2-phenyl-6-(phenylamino)- 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: 54.0%

3-hydroxy-5-phenylpenta-2,4-dienethioic acid phenylamide → 2-phenyl-6-phenylamino-2,3-dihydrothiopyran-4-one (66955-65-5)

Guidance literature:

With triethylamine; In ethanol; at 55 - 60 ℃; for 48h;

DOI:10.1002/jhet.5570440126

Reference yield: 54.0%

3-hydroxy-5-phenylpenta-2,4-dienethioic acid phenylamide (56617-80-2) → 2-phenyl-6-phenylamino-2,3-dihydrothiopyran-4-one (66955-65-5)

Guidance literature:

With boron trifluoride diacetate; In tetrahydrofuran; for 0.166667h;

DOI:10.1007/s10593-006-0067-5

Reference yield:

phenyl isothiocyanate (103-72-0) → 2-phenyl-6-phenylamino-2,3-dihydrothiopyran-4-one (66955-65-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 86 percent / NaH / 1,2-dimethoxy-ethane; various solvent(s) / 20 °C

2: 54 percent / BF₃*2AcOH / tetrahydrofuran / 0.17 h

With boron trifluoride diacetate; sodium hydride; In tetrahydrofuran; 1,2-dimethoxyethane;

DOI:10.1007/s10593-006-0067-5

upstream raw materials:

3-hydroxy-5-phenylpenta-2,4-dienethioic acid phenylamide

phenyl isothiocyanate

(E)-benzalacetone