1-(2-Phenyl-6H-1,3-thiazin-5-yl)ethan-1-one

Base Information

• Chemical Name: 1-(2-Phenyl-6H-1,3-thiazin-5-yl)ethan-1-one
• CAS No.: 72856-35-0
• Molecular Formula: C12H11NOS
• Molecular Weight: 217.291
• DSSTox Substance ID: DTXSID60501083
• Nikkaji Number: J2.008.823K
• Wikidata: Q82353203

Synonyms:72856-35-0;1-(2-Phenyl-6H-1,3-thiazin-5-yl)ethan-1-one;DTXSID60501083

Chemical Property of 1-(2-Phenyl-6H-1,3-thiazin-5-yl)ethan-1-one

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 217.05613515
• Heavy Atom Count: 15
• Complexity: 314

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CN=C(SC1)C2=CC=CC=C2

Technology Process of 1-(2-Phenyl-6H-1,3-thiazin-5-yl)ethan-1-one

There total 6 articles about 1-(2-Phenyl-6H-1,3-thiazin-5-yl)ethan-1-one 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%

4,5-dihydro-6H-1,3-thiazine (72856-29-2) → 1-(2-phenyl-6H-1,3-thiazin-5-yl)-ethanone (72856-35-0)

Guidance literature:

In benzene; at 140 ℃; for 5h;

DOI:10.1021/jo00209a041

Reference yield: 98.0%

N,N-dimethyl-N'-thiobenzoylformamidine (52421-65-5,102254-70-6) + methyl vinyl ketone (78-94-4,25038-87-3) → 1-(2-phenyl-6H-1,3-thiazin-5-yl)-ethanone (72856-35-0)

Guidance literature:

In benzene; at 140 ℃; for 5h; Product distribution; other N'-(thioacyl)formamidines; var. solvents, var. times and temp.;

DOI:10.1021/jo00209a041

Reference yield: 90.0%

methyl vinyl ketone (78-94-4,25038-87-3) + 4-dimethylamino-2-phenyl-1-thia-3-aza-buta-1,3-diene (102254-70-6) → 1-(2-phenyl-6H-1,3-thiazin-5-yl)-ethanone (72856-35-0) + trans-1-[4-(dimethylamino)-2-phenyl-5,6-dihydro-4H-1,3-thiazin-5-yl]ethanone

Guidance literature:

With hydroquinone; In toluene; at 110 ℃; for 2h;

DOI:10.1016/j.tet.2003.12.041

upstream raw materials:

N,N-dimethyl-N'-thiobenzoylformamidine

methyl vinyl ketone

4,5-dihydro-6H-1,3-thiazine

thiocyanogen

Downstream raw materials:

1-(5-Phenyl-3,3a-dihydro-pyrazolo[4,3-d][1,3]thiazin-7a-yl)-ethanone

N-((E)-3-Oxo-2-piperidin-1-ylmethyl-but-1-enyl)-thiobenzamide

3-Acetyl-6,7,7-triphenyl-5-thia-1-aza-bicyclo[4.2.0]oct-2-en-8-one

1-(2-Benzylsulfanyl-2-phenyl-3,6-dihydro-2H-[1,3]thiazin-5-yl)-ethanone

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