2-(4-Chlorophenyl)benzothiazole

Base Information

• Chemical Name: 2-(4-Chlorophenyl)benzothiazole
• CAS No.: 6265-91-4
• Molecular Formula: C13H8ClNS
• Molecular Weight: 245.732
• Hs Code.: 2934200090
• European Community (EC) Number: 666-322-4
• NSC Number: 33160
• DSSTox Substance ID: DTXSID00211710
• Nikkaji Number: J891.444C
• Wikidata: Q83086685
• ChEMBL ID: CHEMBL449008
• Mol file: 6265-91-4.mol

Synonyms:2-(4'-chlorophenyl)benzothiazole

Chemical Property of 2-(4-Chlorophenyl)benzothiazole

Chemical Property:

• Vapor Pressure: 1.08E-05mmHg at 25°C
• Melting Point: 118 °C
• Refractive Index: 1.689
• Boiling Point: 381.9 °C at 760 mmHg
• Flash Point: 184.8 °C
• PSA: 41.13000
• Density: 1.339 g/cm³
• LogP: 4.61670
• Solubility.: soluble in Toluene
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 245.0065981
• Heavy Atom Count: 16
• Complexity: 240

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-(4-Chlorophenyl)benzothiazole ^*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

Technology Process of 2-(4-Chlorophenyl)benzothiazole

There total 126 articles about 2-(4-Chlorophenyl)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: 99.0%

4-chlorobenzaldehyde (104-88-1) + 2-amino-benzenethiol (137-07-5) → 2-(4-chlorophenyl)benzothiazole (6265-91-4)

Guidance literature:

With oxygen; scandium tris(trifluoromethanesulfonate); In tetrahydrofuran; at 20 ℃; for 2h;

Reference yield: 97.0%

4-Cyanochlorobenzene (623-03-0) + 2-amino-benzenethiol (137-07-5) → 2-(4-chlorophenyl)benzothiazole (6265-91-4)

Guidance literature:

With methanesulfonic acid; at 40 ℃; for 14h;

Reference yield: 97.0%

4-chloro-N-(2-bromophenyl)benzothioamide (459128-66-6) → 2-(4-chlorophenyl)benzothiazole (6265-91-4)

Guidance literature:

With chloro[1,3-bis(2,6-di-i-propylphenyl)imidazol-2-ylidene]copper(I); potassium carbonate; In N,N-dimethyl-formamide; at 110 ℃; for 3h;

DOI:10.1039/c6ra18510j

upstream raw materials:

4-chloro-benzoyl chloride

2-amino-benzenethiol

4-chloroselenobenzamide

diisopropyl peroxydicarbonate

Downstream raw materials:

2-(4-aminophenyl)benzothiazole

2-(4'-cyanophenyl)benzothiazole

2-(4-(benzothiazol-2-yl)phenyl)acetonitrile

2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)benzo-[d]thiazole

Refernces

• 1、 Imoto, Mitsutaka,Mizuno, Takumi,Nomoto, Akihiro,Ogawa, Akiya,Takeda, Motonori,Teramoto, Masahiro. "Synthesis of 2-Arylbenzothiazoles from Nitrobenzenes, Benzylamines, and Elemental Sulfur via Redox Cyclization". supporting information. p. 386 - 390. Retrieved 2022/03/02.
• 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.