Benzothiazole, 2-(2,4-dichlorophenyl)-

Base Information

• Chemical Name: Benzothiazole, 2-(2,4-dichlorophenyl)-
• CAS No.: 6265-90-3
• Molecular Formula: C13H7 Cl2 N S
• Molecular Weight: 280.177
• NSC Number: 33159
• DSSTox Substance ID: DTXSID90211709
• Nikkaji Number: J1.484.003F
• Wikidata: Q83086683
• ChEMBL ID: CHEMBL1808309
• Mol file: 6265-90-3.mol

Synonyms:6265-90-3;2-(2,4-dichlorophenyl)-1,3-benzothiazole;Benzothiazole, 2-(2,4-dichlorophenyl)-;2-(2,4-Dichlorophenyl)benzothiazole;BRN 0214790;2-(2,4-dichlorophenyl)benzo[d]thiazole;2-(2,4-DICHLORO-PHENYL)-BENZOTHIAZOLE;NSC33159;SCHEMBL2136152;CHEMBL1808309;DTXSID90211709;ARK102863;NSC 33159;NSC-33159;2-(2,4-dichloro-phenyl)benzothiazole;AKOS000460502;LS-40727;SR-01000421024;SR-01000421024-1;F0060-0233

Chemical Property of Benzothiazole, 2-(2,4-dichlorophenyl)-

Chemical Property:

• Vapor Pressure: 1.28E-06mmHg at 25°C
• Boiling Point: 412°C at 760 mmHg
• Flash Point: 203°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:

97% ^*data from raw suppliers

2-(2,4-DICHLORO-PHENYL)-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=C(C=C(C=C3)Cl)Cl

Technology Process of Benzothiazole, 2-(2,4-dichlorophenyl)-

There total 14 articles about Benzothiazole, 2-(2,4-dichlorophenyl)- 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: 98.0%

2,4-dichlorobenzaldeyhde (874-42-0) + 2-amino-benzenethiol (137-07-5) → 2-(2,4-dichlorophenyl)-1,3-benzothiazole (6265-90-3)

Guidance literature:

With Cu(II) containing nanosilica triazine dendrimer; In neat (no solvent); at 20 ℃; for 0.333333h; Catalytic behavior;

DOI:10.1016/j.molcata.2013.08.009

Reference yield: 91.0%

(2,4-dichlorophenyl)methanol (1777-82-8) + 2-amino-benzenethiol (137-07-5) → 2-(2,4-dichlorophenyl)-1,3-benzothiazole (6265-90-3)

Guidance literature:

With tetrabutyl phosphonium bromide; In water; at 80 ℃; for 2.08333h; Catalytic behavior;

DOI:10.1039/d0ra06471h

Reference yield: 85.0%

2-(2,4-dichlorophenyl)-2-oxoacetic acid (32375-56-7) + 2-Aminophenyl disulfide (1141-88-4) → 2-(2,4-dichlorophenyl)-1,3-benzothiazole (6265-90-3)

Guidance literature:

With sodium meta bi sulfate; In dimethyl sulfoxide; at 100 ℃; for 2h;

DOI:10.1002/ejoc.201700648

upstream raw materials:

zinc 2-aminobenzenethiolate

2,4-dichlorobenzaldeyhde

1-(2,4-dichloro-benzyl)-pyridinium; bromide

p-dimethylaminonitrosobenzene

Refernces

• 1、 Kargar, Hadi,Kargar, Khadijeh,Fallah-Mehrjardi, Mehdi,Munawar, Khurram Shahzad. "Syntheses, characterization, and catalytic potential of novel vanadium and molybdenum Schiff base complexes for the preparation of benzimidazoles, benzoxazoles, and benzothiazoles under thermal and ultrasonic conditions". . p. 593 - 605. Retrieved 2021/06/21.
• 2、 Abdelrasoul, Amira,Ghorashi, Nadia,Moradi, Reza,Rostami, Amin,Shokri, Zahra. "Aerobic oxidative synthesis of quinazolinones and benzothiazoles in the presence of laccase/DDQ as a bioinspired cooperative catalytic system under mild conditions". . p. 14254 - 14261. Retrieved 2020/04/23.