4-Methyl-2-phenyl-2H-1,4-benzothiazin-3(4H)-one

Base Information

• Chemical Name: 4-Methyl-2-phenyl-2H-1,4-benzothiazin-3(4H)-one
• CAS No.: 30015-69-1
• Molecular Formula: C15H13NOS
• Molecular Weight: 255.34
• DSSTox Substance ID: DTXSID101243975
• Mol file: 30015-69-1.mol

Synonyms:30015-69-1;4-Methyl-2-phenyl-2H-1,4-benzothiazin-3(4H)-one;SCHEMBL9830752;DTXSID101243975

Chemical Property of 4-Methyl-2-phenyl-2H-1,4-benzothiazin-3(4H)-one

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 255.07178521
• Heavy Atom Count: 18
• Complexity: 314

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN1C2=CC=CC=C2SC(C1=O)C3=CC=CC=C3

Technology Process of 4-Methyl-2-phenyl-2H-1,4-benzothiazin-3(4H)-one

There total 12 articles about 4-Methyl-2-phenyl-2H-1,4-benzothiazin-3(4H)-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: 75.0%

2-chloro-4-methyl-4H-benzo[1,4]thiazin-3-one (55043-50-0) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 4-methyl-2-phenyl-2H-1,4-benzothiazine-(3)-one (30015-69-1)

Guidance literature:

With aluminium trichloride; In dichloromethane; at 40 ℃; for 0.166667h;

DOI:10.1055/s-1988-27648

Reference yield:

3,4-dihydro-2-phenyl-2H-1,4-benzothiazin-3-one (38533-19-6) + methyl iodide (74-88-4) → 4-methyl-2-phenyl-2H-1,4-benzothiazine-(3)-one (30015-69-1)

Guidance literature:

With potassium hydroxide; In ethanol; Heating;

Reference yield:

2-amino-benzenethiol (137-07-5) → 4-methyl-2-phenyl-2H-1,4-benzothiazine-(3)-one (30015-69-1)

Guidance literature:

Multi-step reaction with 4 steps

2: 2.) lithium aluminum hydride

4: tetrahydrofuran / 3 h / -70 °C

With lithium aluminium tetrahydride; In tetrahydrofuran;

DOI:10.1248/cpb.32.438

upstream raw materials:

diethyl benzoylphosphonate

3-methylbenzothiazolium iodide

3,4-dihydro-2-phenyl-2H-1,4-benzothiazin-3-one

methyl iodide

Downstream raw materials:

4-methyl-2-phenyl-1,4(3H)-benzothiazine