3-Phenyl-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione

Base Information

• Chemical Name: 3-Phenyl-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione
• CAS No.: 18818-44-5
• Molecular Formula: C13H10N2O2S
• Molecular Weight: 258.301
• DSSTox Substance ID: DTXSID40502891
• Nikkaji Number: J1.605.424K
• Wikidata: Q82356283

Synonyms:18818-44-5;3-Phenyl-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione;DTXSID40502891;AKOS032951604

Chemical Property of 3-Phenyl-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 258.04629874
• Heavy Atom Count: 18
• Complexity: 432

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NS(=O)(=O)C3=CC=CC=C3N2

Technology Process of 3-Phenyl-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione

There total 43 articles about 3-Phenyl-1lambda~6~,2,4-benzothiadiazine-1,1(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: 97.0%

N-((2-chlorophenyl)sulfonyl)benzenecarboximidamide (1327160-67-7) → 3-Phenyl-2H-1,2,4-benzothiadiazine 1,1-dioxide (18818-44-5)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 80 ℃; for 8h;

DOI:10.1016/j.tet.2011.06.063

Reference yield: 96.0%

N-((2-bromophenyl)sulfonyl)benzenecarboximidamide (1327160-68-8) → 3-Phenyl-2H-1,2,4-benzothiadiazine 1,1-dioxide (18818-44-5)

Guidance literature:

With copper(l) iodide; N,N`-dimethylethylenediamine; In N,N-dimethyl-formamide; at 80 ℃; for 8h; Inert atmosphere;

DOI:10.1016/j.tet.2011.06.063

Reference yield: 95.0%

N-((2-fluorophenyl)sulfonyl)benzenecarboximidamide (1327160-66-6) → 3-Phenyl-2H-1,2,4-benzothiadiazine 1,1-dioxide (18818-44-5)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 80 ℃; for 8h;

DOI:10.1016/j.tet.2011.06.063

upstream raw materials:

2-benzoylamino-benzenesulfonamide

(2-amino-benzenesulfonyl)-benzoyl-amine

1-oxo-3-phenyl-2H-1,2,4-benzothiadiazine

3-phenyl-1-(toluene-4-sulfonylamino)-1λ⁴-benzo[1,2,4]thiadiazine

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