3-Phenyl-2H-1,2,4-benzothiadiazine

Base Information

• Chemical Name: 3-Phenyl-2H-1,2,4-benzothiadiazine
• CAS No.: 74063-26-6
• Molecular Formula: C13H10N2S
• Molecular Weight: 226.302
• DSSTox Substance ID: DTXSID40505246
• Nikkaji Number: J2.036.481E
• Wikidata: Q82360218

Synonyms:3-Phenyl-2H-1,2,4-benzothiadiazine;74063-26-6;DTXSID40505246

Chemical Property of 3-Phenyl-2H-1,2,4-benzothiadiazine

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 226.05646950
• Heavy Atom Count: 16
• Complexity: 271

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NC3=CC=CC=C3SN2

Technology Process of 3-Phenyl-2H-1,2,4-benzothiadiazine

There total 8 articles about 3-Phenyl-2H-1,2,4-benzothiadiazine 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: 85.0%

3-phenyl-1-propyl-1λ4-benzo[1,2,4]thiadiazine (685872-24-6) → 3-phenyl-4H-benzo[1,2,4]thiadiazine (74063-26-6)

Guidance literature:

In toluene; for 12h; Heating;

DOI:10.1021/jo035835h

Reference yield: 71.0%

3-phenyl-4H-benzo[e]-1,2,4thiadiazine-S-oxide (4826-05-5) → 3-phenyl-4H-benzo[1,2,4]thiadiazine (74063-26-6)

Guidance literature:

With tributylphosphine; In benzene; Heating;

DOI:10.1021/jo01305a009

Reference yield: 52.0%

1-methyl-3-phenyl-1λ4,2,4-benzothiadiazine (85615-96-9) → 3-phenyl-2H-1,2,4-benzothiadiazine (74063-26-6)

Guidance literature:

at 80 ℃; for 1h;

upstream raw materials:

3-phenyl-4H-benzo[e]-1,2,4thiadiazine-S-oxide

3-phenyl-1-propyl-1λ⁴-benzo[1,2,4]thiadiazine

2-(propylthio)aniline

1-propylsulfanyl-2-nitrobenzene

Downstream raw materials:

2-Phenylbenzothiazole

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