6-Phenyl-3-(piperidin-1-yl)-1,4,2-oxathiazine

Base Information

• Chemical Name: 6-Phenyl-3-(piperidin-1-yl)-1,4,2-oxathiazine
• CAS No.: 121740-56-5
• Molecular Formula: C14H16N2OS
• Molecular Weight: 260.36
• DSSTox Substance ID: DTXSID70558200
• Wikidata: Q82440404
• Mol file: 121740-56-5.mol

Synonyms:121740-56-5;6-Phenyl-3-(piperidin-1-yl)-1,4,2-oxathiazine;DTXSID70558200

Chemical Property of 6-Phenyl-3-(piperidin-1-yl)-1,4,2-oxathiazine

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 260.09833431
• Heavy Atom Count: 18
• Complexity: 342

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(CC1)C2=NOC(=CS2)C3=CC=CC=C3

Technology Process of 6-Phenyl-3-(piperidin-1-yl)-1,4,2-oxathiazine

There total 3 articles about 6-Phenyl-3-(piperidin-1-yl)-1,4,2-oxathiazine 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: 63.0%

5-Phenyl-2-piperidino-1,3-oxathiolium perchlorate (72100-44-8) → 5-phenyl-3-piperidino-1,4,2-oxathiazine (121740-56-5)

Guidance literature:

With ammonium hydroxide; iodine; In acetonitrile; for 0.5h; Ambient temperature;

DOI:10.1246/bcsj.65.668

Reference yield: 46.0%

5-Phenyl-2-piperidino-1,3-oxathiolium perchlorate (72100-44-8) → 5-phenyl-3-piperidino-1,4,2-oxathiazine (121740-56-5) + bis(4-phenyl-2-piperidino-5-thiazolyl) sulfide (141266-08-2)

Guidance literature:

With dimethylthiocarbamoyl sulfenamide; In acetonitrile; for 20h; Product distribution; Ambient temperature; other 1,3-oxathiolium salts; other sulfenamides; var. times;

DOI:10.1246/bcsj.65.668

Reference yield: 45.0%

2-sulfenamoyl-pyridine (3993-58-6) + 5-Phenyl-2-piperidino-1,3-oxathiolium perchlorate (72100-44-8) → 5-phenyl-3-piperidino-1,4,2-oxathiazine (121740-56-5) + 4-phenyl-2-piperidino-5-thiazolyl 2-pyridyl sulfide (141266-19-5)

Guidance literature:

In acetonitrile; for 2h; Ambient temperature;

DOI:10.1246/bcsj.65.668

upstream raw materials:

2-sulfenamoyl-pyridine

5-Phenyl-2-piperidino-1,3-oxathiolium perchlorate

Downstream raw materials:

5-phenyl-3-piperidino-1,4,2-oxathiazine 4-oxide

5-phenyl-3-piperidino-1,4,2-oxathiazine 4,4-dioxide