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

Base Information

• Chemical Name: 2H-1,4-Benzothiazine, 3-(4-methylphenyl)-
• CAS No.: 19195-31-4
• Molecular Formula: C15H13NS
• Molecular Weight: 239.341
• ChEMBL ID: CHEMBL481948
• DSSTox Substance ID: DTXSID50465125
• Nikkaji Number: J2.935.317D
• Wikidata: Q82290841
• Mol file: 19195-31-4.mol

Synonyms:2H-1,4-Benzothiazine, 3-(4-methylphenyl)-;19195-31-4;CHEMBL481948;DTXSID50465125

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

Chemical Property:

• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 239.07687059
• Heavy Atom Count: 17
• Complexity: 291

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C2=NC3=CC=CC=C3SC2

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

There total 3 articles about 2H-1,4-Benzothiazine, 3-(4-methylphenyl)- 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: 96.0%

2-amino-benzenethiol (137-07-5) + 4-(bromoacetyl)toluene (619-41-0) → 3-(4'-methylphenyl)-2H-1,4-benzothiazine (19195-31-4)

Guidance literature:

With potassium hydrogensulfate; In acetonitrile; Reflux;

DOI:10.1080/00397911003629465

Reference yield: 68.0%

bis(2-nitrophenyl)disulfide (1155-00-6) + 4-(bromoacetyl)toluene (619-41-0) → 3-(4'-methylphenyl)-2H-1,4-benzothiazine (19195-31-4)

Guidance literature:

bis(2-nitrophenyl)disulfide; With samarium diiodide; In tetrahydrofuran; at 20 ℃; for 0.5h;

4-(bromoacetyl)toluene; In tetrahydrofuran; at 20 ℃; for 2h;

DOI:10.1002/hc.1025

Reference yield:

4-(bromoacetyl)toluene (619-41-0) + sodium 2-aminothiophenol (52380-58-2) → 3-(4'-methylphenyl)-2H-1,4-benzothiazine (19195-31-4)

Guidance literature:

In diethyl ether; at 20 ℃; Inert atmosphere;

DOI:10.1021/jm701623q

upstream raw materials:

2-amino-benzenethiol

4-(bromoacetyl)toluene

bis(2-nitrophenyl)disulfide

sodium 2-aminothiophenol

Downstream raw materials:

2-benzothiazol-2-ylmethylene-3-p-tolyl-2H-benzo[1,4]thiazine

3,3'-di-p-tolyl-2H,2'H-2,2'-bibenzo[b][1,4]thiazine

(Z)-3,3'-di-p-tolyl-[2,2']bi[benzo[1,4]thiazinylidene]

(E)-3,3'-di-p-tolyl-[2,2']bi[benzo[1,4]thiazinylidene]

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