2-(Naphthalen-2-yl)-1,3-benzothiazole

Base Information

• Chemical Name: 2-(Naphthalen-2-yl)-1,3-benzothiazole
• CAS No.: 56048-51-2
• Molecular Formula: C17H11NS
• Molecular Weight: 261.347
• ChEMBL ID: CHEMBL1808306
• DSSTox Substance ID: DTXSID60477153
• Nikkaji Number: J1.462.742A
• Wikidata: Q82309412
• Mol file: 56048-51-2.mol

Synonyms:56048-51-2;2-(2-Naphthyl)benzothiazole;2-Naphthalen-2-yl-benzothiazole;2-(naphthalen-2-yl)benzo[d]thiazole;2-(Naphthalen-2-yl)-1,3-benzothiazole;SCHEMBL2222932;CHEMBL1808306;DTXSID60477153;2-(2-naphthyl)-1,3-benzothiazole

Chemical Property of 2-(Naphthalen-2-yl)-1,3-benzothiazole

Chemical Property:

• PSA: 41.13000
• LogP: 5.11650
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 261.06122053
• Heavy Atom Count: 19
• Complexity: 318

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C=C(C=CC2=C1)C3=NC4=CC=CC=C4S3

Technology Process of 2-(Naphthalen-2-yl)-1,3-benzothiazole

There total 42 articles about 2-(Naphthalen-2-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: 97.0%

β-naphthaldehyde (66-99-9) + 2-amino-benzenethiol (137-07-5) → 2-(2-naphthyl)benzothiazole (56048-51-2)

Guidance literature:

With oxygen; scandium tris(trifluoromethanesulfonate); In tetrahydrofuran; at 20 ℃; for 3h;

Reference yield: 95.0%

2-(naphthalen-2-yl)-2,3-dihydrobenzo[d]thiazole (56048-68-1) → 2-(2-naphthyl)benzothiazole (56048-51-2)

Guidance literature:

With tris(bipyridine)ruthenium(II) dichloride hexahydrate; chloropyridinecobaloxime(III); In ethanol; at 30 ℃; for 24h; Inert atmosphere; Schlenk technique; Irradiation;

DOI:10.1002/anie.201612486

Reference yield: 91.0%

2-naphthalenecarbonitrile (613-46-7) + 2-amino-benzenethiol (137-07-5) → 2-(2-naphthyl)benzothiazole (56048-51-2)

Guidance literature:

With zinc(II) oxide; In neat (no solvent); at 70 ℃; chemoselective reaction; Green chemistry;

DOI:10.1080/00397911.2021.1894577

upstream raw materials:

N-(2-naphthylmethylene)-2-phenylthiobenzenamine

β-naphthaldehyde

2-amino-benzenethiol

2-naphthaloyl chloride

Refernces

• 1、 Bhujbal, Yuvraj,Gharpure, Santosh J.,Kapdi, Anant R.,Kommyreddy, Saidurga Prasad,Kori, Santosh,Vadagaonkar, Kamlesh. "Room temperature HFIP/Ag-promoted palladium-catalyzed C–H functionalization of benzothiazole with iodoarenes". supporting information. p. 847 - 850. Retrieved 2022/02/01.
• 2、 Dhawale, Kiran D.,Ingale, Ajit P.,Shinde, Sandeep V.,Thorat, Nitin M.,Patil, Limbraj R.. "ZnO-NPs catalyzed condensation of 2-aminothiophenol and aryl/alkyl nitriles: Efficient green synthesis of 2-substituted benzothiazoles". . p. 1588 - 1601. Retrieved 2021/03/18.