2,2'-(1,3-Phenylene)bis(1,3-benzothiazole)

Base Information

• Chemical Name: 2,2'-(1,3-Phenylene)bis(1,3-benzothiazole)
• CAS No.: 62090-95-3
• Molecular Formula: C20H12N2S2
• Molecular Weight: 344.45
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID70449407
• Nikkaji Number: J2.475.753F
• Wikidata: Q82268857
• Mol file: 62090-95-3.mol

Synonyms:62090-95-3;2,2'-(1,3-Phenylene)bis(1,3-benzothiazole);SCHEMBL5461064;DTXSID70449407;AKOS025122682;2,2'-(1,3-Phenylene)bisbenzothiazole;2,2'-(1,3-phenylene)bis-1,3-benzothiazole;2,2'-(1,3-PHENYLENE)BIS-1H-BENZOTHIAZOLE

Chemical Property of 2,2'-(1,3-Phenylene)bis(1,3-benzothiazole)

Chemical Property:

• PSA: 82.26000
• LogP: 6.24000
• XLogP3: 6.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 344.04419074
• Heavy Atom Count: 24
• Complexity: 407

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(=C1)N=C(S2)C3=CC(=CC=C3)C4=NC5=CC=CC=C5S4

Technology Process of 2,2'-(1,3-Phenylene)bis(1,3-benzothiazole)

There total 9 articles about 2,2'-(1,3-Phenylene)bis(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: 76.0%

2-amino-benzenethiol (137-07-5) + benzene-1,3-dicarbonyl dichloride (99-63-8) → 1,3-bis(2-benzothiazolyl)benzene (62090-95-3)

Guidance literature:

With triethylamine; In tetrahydrofuran; at 20 ℃;

DOI:10.1081/SCC-120020209

Reference yield: 72.0%

1,3-dimethanol benzene (626-18-6) + 2-amino-benzenethiol (137-07-5) → 1,3-bis(2-benzothiazolyl)benzene (62090-95-3)

Guidance literature:

With tetramethyl ammoniumhydroxide; potassium carbonate; In ethylene glycol; at 125 ℃; for 24h;

DOI:10.1002/ejoc.202101135

Reference yield: 67.0%

Isophthalaldehyde (626-19-7) + 2-amino-benzenethiol (137-07-5) → 1,3-bis(2-benzothiazolyl)benzene (62090-95-3)

Guidance literature:

With sodium hydrogensulfite; In ethanol; for 4h; Heating;

DOI:10.1016/S0014-827X(02)01246-6

upstream raw materials:

isophthalic acid

2-amino-benzenethiol

Isophthalaldehyde

benzene-1,3-dicarbonyl dichloride

Refernces

• 1、 Chen, Tongsheng,Jiang, Xiao,Liang, Zhenhao,Quan, Tingting,Zeng, Guanling. "An ESIPT-Dependent AIE Fluorophore Based on HBT Derivative: Substituent Positional Impact on Aggregated Luminescence and its Application for Hydrogen Peroxide Detection". supporting information. . Retrieved 2021/12/23.
• 2、 Dehbanipour, Zahra,Moghadam, Majid,Tangestaninejad, Shahram,Mirkhani, Valiollah,Mohammadpoor-Baltork, Iraj. "Copper(II) bis-thiazole complex immobilized on silica nanoparticles: Preparation, characterization and its application as a highly efficient catalyst for click synthesis of 1,2,3-triazoles". supporting information. p. 21 - 30. Retrieved 2017/09/29.