2-(1-Naphthyl)benzothiazole

Base Information

• Chemical Name: 2-(1-Naphthyl)benzothiazole
• CAS No.: 56048-50-1
• Molecular Formula: C17H11NS
• Molecular Weight: 261.34
• DSSTox Substance ID: DTXSID30468957
• Nikkaji Number: J1.462.744H
• Wikidata: Q82296482
• Mol file: 56048-50-1.mol

Synonyms:56048-50-1;2-(1-naphthyl)benzothiazole;ST51042983;SCHEMBL2225061;2-Naphthalen-1-yl-benzothiazole;DTXSID30468957;2-(Naphthalen-1-yl)benzo[d]thiazole;AKOS024388623

Chemical Property of 2-(1-Naphthyl)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%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=CC=C2C3=NC4=CC=CC=C4S3

Technology Process of 2-(1-Naphthyl)benzothiazole

There total 48 articles about 2-(1-Naphthyl)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: 97.1%

1-naphthaldehyde (66-77-3) + 2-amino-benzenethiol (137-07-5) → 2-(1-naphthyl)benzothiazole (56048-50-1)

Guidance literature:

With 1-pentyl-3-methylimidazolium bromide; for 0.0833333h; microwave irradiation;

DOI:10.1246/cl.2004.274

Reference yield: 97.0%

1,3-Benzothiazole (95-16-9) + N,N,N-trimethyl-1-naphthalenaminium trifluoromethanesulfonate (1351445-39-0) → 2-(1-naphthyl)benzothiazole (56048-50-1)

Guidance literature:

With bis(η3-allyl-μ-chloropalladium(II)); sodium t-butanolate; tricyclohexylphosphine; In N,N-dimethyl-formamide; at 120 ℃; for 12h; Inert atmosphere;

DOI:10.1021/acs.orglett.5b02458

Reference yield: 97.0%

1-naphthaldehyde (66-77-3) + 2-Aminophenyl disulfide (1141-88-4) → 2-(1-naphthyl)benzothiazole (56048-50-1)

Guidance literature:

With sodium dithionite; In dimethyl sulfoxide; at 80 ℃; for 4h; Molecular sieve;

DOI:10.1002/cjoc.201190084

upstream raw materials:

2-bromo-1,3-benzothiazole

1-Naphthylboronic acid

1-naphthaldehyde

2-amino-benzenethiol

Downstream raw materials:

1-(benzo[d]thiazol-2-yl)naphthalen-2-ol

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、 Pise, Ashok S.,Ingale, Ajit P.,Dalvi, Navnath R.. "Ultrasound-assisted efficient and green synthesis of 2-substituted benzothiazoles under solvent-free condition using recyclable sulfated tungstate". supporting information. p. 3629 - 3641. Retrieved 2021/10/12.