2-(3,4-Dichlorophenyl)-1,3-benzothiazole

Base Information

• Chemical Name: 2-(3,4-Dichlorophenyl)-1,3-benzothiazole
• CAS No.: 6265-89-0
• Molecular Formula: C13H7 Cl2 N S
• Molecular Weight: 280.177
• NSC Number: 33158
• DSSTox Substance ID: DTXSID20283737
• Nikkaji Number: J1.834.639G
• Wikidata: Q82018412
• ChEMBL ID: CHEMBL1808315
• Mol file: 6265-89-0.mol

Synonyms:2-(3,4-dichlorophenyl)-1,3-benzothiazole;6265-89-0;2-(3,4-DICHLORO-PHENYL)-BENZOTHIAZOLE;NSC33158;2-(3,4-dichlorophenyl)benzothiazole;CHEMBL1808315;DTXSID20283737;ARK100057;NSC-33158;AKOS024288376;2-(3,4-dichlorophenyl)benzo[d]thiazole

Chemical Property of 2-(3,4-Dichlorophenyl)-1,3-benzothiazole

Chemical Property:

• Vapor Pressure: 8.3E-07mmHg at 25°C
• Boiling Point: 417.9°C at 760 mmHg
• Flash Point: 206.5°C
• PSA: 41.13000
• Density: 1.433g/cm³
• LogP: 5.27010
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 278.9676258
• Heavy Atom Count: 17
• Complexity: 276

Purity/Quality:

99% ^*data from raw suppliers

2-(3,4-DICHLOROPHENYL)-BENZOTHIAZOLE 95.00% ^*data from reagent 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(=C(C=C3)Cl)Cl

Technology Process of 2-(3,4-Dichlorophenyl)-1,3-benzothiazole

There total 12 articles about 2-(3,4-Dichlorophenyl)-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) + 3,4-dichlorobenzaldehyde (6287-38-3) → 2-(3,4-dichlorophenyl)-1,3-benzothiazole (6265-89-0)

Guidance literature:

With silica-gel-supported sulfuric acid; at 20 ℃; for 2.8h; Green chemistry;

DOI:10.1007/s11164-012-0739-y

Reference yield: 92.0%

C26H16Cl4N2S2 (1239970-45-6) → 2-(3,4-dichlorophenyl)-1,3-benzothiazole (6265-89-0)

Guidance literature:

With samarium; titanium tetrachloride; In tetrahydrofuran; at 40 ℃; for 0.166667h; Inert atmosphere;

DOI:10.1080/00397910903227230

Reference yield: 87.0%

1,3-Benzothiazole (95-16-9) + 3,4-dichloroiodobenzene (20555-91-3) → 2-(3,4-dichlorophenyl)-1,3-benzothiazole (6265-89-0)

Guidance literature:

With copper(l) iodide; palladium diacetate; In N,N-dimethyl-formamide; at 140 ℃; for 48h;

DOI:10.1016/j.tet.2006.12.068

upstream raw materials:

zinc 2-aminobenzenethiolate

3,4-dichlorobenzaldehyde

2-amino-benzenethiol

3,4-dichlorobenzoyl chloride

Refernces

• 1、 Wang, Xin,Li, Xiaotong,Hu, Renhe,Yang, Zhao,Gu, Ren,Ding, Sai,Li, Pengyi,Han, Shiqing. "Elemental Sulfur-Mediated Decarboxylative Redox Cyclization Reaction: Copper-Catalyzed Synthesis of 2-Substituted Benzothiazoles". supporting information. p. 219 - 224. Retrieved 2017/10/09.
• 2、 Puranik, Ninad V.,Puntambekar, Hemalata M.,Srivastava, Pratibha. "Antidiabetic potential and enzyme kinetics of benzothiazole derivatives and their non-bonded interactions with α-glucosidase and α-amylase". . p. 805 - 816. Retrieved 2016/03/08.