2-(Anthracen-9-YL)-1,3-benzothiazole

Base Information

• Chemical Name: 2-(Anthracen-9-YL)-1,3-benzothiazole
• CAS No.: 102183-23-3
• Molecular Formula: C₂₁H₁₃NS
• Molecular Weight: 311.407
• DSSTox Substance ID: DTXSID90576002
• Nikkaji Number: J902.443C
• Wikidata: Q82465509
• Mol file: 102183-23-3.mol

Synonyms:102183-23-3;2-anthracen-9-yl-1,3-benzothiazole;2-(ANTHRACEN-9-YL)-1,3-BENZOTHIAZOLE;2-ANTHRACEN-9-YL-BENZOTHIAZOLE;Benzothiazole, 2-(9-anthracenyl)-;SCHEMBL13197400;2-(anthracen-9-yl)benzothiazole;DTXSID90576002;2-(Anthracen-9-yl)benzo[d]thiazole

Chemical Property of 2-(Anthracen-9-YL)-1,3-benzothiazole

Chemical Property:

• PSA: 41.13000
• LogP: 6.26970
• XLogP3: 6.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 311.07687059
• Heavy Atom Count: 23
• Complexity: 402

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C4=NC5=CC=CC=C5S4

Technology Process of 2-(Anthracen-9-YL)-1,3-benzothiazole

There total 5 articles about 2-(Anthracen-9-YL)-1,3-benzothiazole 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) + 9-anthracene aldehyde (642-31-9) → 2-(9-anthryl)benzothiazole (102183-23-3)

Guidance literature:

With toluene-4-sulfonic acid; dimethyl sulfoxide; In PEG-200/400; for 0.166667h; Microwave irradiation;

DOI:10.1080/10426501003598648

Reference yield: 85.0%

2-bromo-1,3-benzothiazole (2516-40-7) + 2-anthracen-9-yl-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane (709022-63-9) → 2-(9-anthryl)benzothiazole (102183-23-3)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate; In ethanol; water; toluene; for 5h; Inert atmosphere; Reflux;

Reference yield: 62.0%

1,3-Benzothiazole (95-16-9) + 9-Bromoanthracene (1564-64-3) → 2-(9-anthryl)benzothiazole (102183-23-3)

Guidance literature:

With [2,2]bipyridinyl; nickel(II) acetate tetrahydrate; lithium tert-butoxide; In 1,4-dioxane; at 120 ℃; for 36h; Inert atmosphere;

DOI:10.1002/chem.201101091

upstream raw materials:

anthracen-9-carboxylic acid

2-amino-benzenethiol

9-anthracene aldehyde

1,3-Benzothiazole