2H-1,4-Benzothiazine-2,3(4H)-dione

Base Information

• Chemical Name: 2H-1,4-Benzothiazine-2,3(4H)-dione
• CAS No.: 73042-64-5
• Molecular Formula: C8H5NO2S
• Molecular Weight: 179.199
• DSSTox Substance ID: DTXSID00532376
• Wikidata: Q82404928
• Mol file: 73042-64-5.mol

Synonyms:2H-1,4-Benzothiazine-2,3(4H)-dione;73042-64-5;1,4-benzothiazine-2,3-dione;DTXSID00532376

Chemical Property of 2H-1,4-Benzothiazine-2,3(4H)-dione

Chemical Property:

• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 179.00409958
• Heavy Atom Count: 12
• Complexity: 229

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)NC(=O)C(=O)S2

Technology Process of 2H-1,4-Benzothiazine-2,3(4H)-dione

There total 2 articles about 2H-1,4-Benzothiazine-2,3(4H)-dione 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: 92.0%

2-amino-benzenethiol (137-07-5) + 5-phenyl-4-(3-phenylquinoxalin-2-yl)-2,3-dihydrofuran-2,3-dione (299918-89-1) → 2H-1,4-benzothiazine-2,3(4)-dione (73042-64-5) + (2Z)-1-phenyl-2-(3-phenylquinoxalin-2(1H)-ylidene)ethan-1-one (57436-88-1)

Guidance literature:

In chloroform; at 20 ℃;

DOI:10.1134/S107042801905021X

Reference yield: 83.0%

2-amino-benzenethiol (137-07-5) + 5-(4-methylphenyl)-4-[3-(4-methylphenyl)quinoxalin-2-yl]-2,3-dihydrofuran-2,3-dione (308086-65-9) → 2H-1,4-benzothiazine-2,3(4)-dione (73042-64-5) + (2Z)-1-(4-methylphenyl)-2-[3-(4-methylphenyl)quinoxalin-2(1H)-ylidene]ethan-1-one (214633-81-5)

Guidance literature:

In chloroform; at 20 ℃;

DOI:10.1134/S107042801905021X

Reference yield: 46.0%

2H-1,4-benzothiazine-2,3(4)-dione (73042-64-5) + aniline (62-53-3) → N-phenylbenzo[d]thiazole-2-carboxamide (68070-62-2)

Guidance literature:

With acetic acid; for 4h; Heating;

DOI:10.1016/0223-5234(89)90036-6

upstream raw materials:

2-amino-benzenethiol

5-phenyl-4-(3-phenylquinoxalin-2-yl)-2,3-dihydrofuran-2,3-dione

5-(4-methylphenyl)-4-[3-(4-methylphenyl)quinoxalin-2-yl]-2,3-dihydrofuran-2,3-dione

Downstream raw materials:

1,3-Benzothiazole

methylammonium carbonate

oxalic acid

2-amino-benzenethiol