2-(2-Ethoxyphenyl)-1,3-benzothiazole

Base Information

• Chemical Name: 2-(2-Ethoxyphenyl)-1,3-benzothiazole
• CAS No.: 6265-58-3
• Molecular Formula: C15H13 N O S
• Molecular Weight: 255.34
• NSC Number: 33007
• DSSTox Substance ID: DTXSID80978213
• Nikkaji Number: J3.108.621C
• Wikidata: Q82963544
• Mol file: 6265-58-3.mol

Synonyms:2-(2-ethoxyphenyl)-1,3-benzothiazole;6265-58-3;Benzothiazole, 2-(2-ethoxyphenyl)-;BRN 0223453;NSC33007;DTXSID80978213;Benzothiazole, 2-(o-ethoxyphenyl)-;ARK102167;NSC 33007;NSC-33007

Chemical Property of 2-(2-Ethoxyphenyl)-1,3-benzothiazole

Chemical Property:

• Vapor Pressure: 1.24E-06mmHg at 25°C
• Boiling Point: 412.5°C at 760 mmHg
• Flash Point: 203.2°C
• PSA: 50.36000
• Density: 1.204g/cm³
• LogP: 4.36200
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 255.07178521
• Heavy Atom Count: 18
• Complexity: 273

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=CC=CC=C1C2=NC3=CC=CC=C3S2

Technology Process of 2-(2-Ethoxyphenyl)-1,3-benzothiazole

There total 5 articles about 2-(2-Ethoxyphenyl)-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: 80.0%

2-ethoxylbenzaldehyde (613-69-4) + o-nitroiodobenzene (609-73-4) → 2-(2-ethoxyphenyl)-1,3-benzothiazole (6265-58-3)

Guidance literature:

With copper(l) iodide; 1,10-Phenanthroline; sodiumsulfide nonahydrate; In acetic acid; at 100 ℃; for 12h; Sealed tube;

DOI:10.1055/s-0032-1318304

Reference yield: 76.0%

2-(ethoxy)benzylamine (37806-29-4) + 2-amino-benzenethiol (137-07-5) → 2-(2-ethoxyphenyl)-1,3-benzothiazole (6265-58-3)

Guidance literature:

With 2,8-dibromo-10-(4-bromophenyl)-5,5-difluoro-1,3,7,9-tetramethyl-5H-dipyrrolo[1,2-c:2′,1′-f ][1,3,2]diazaborinin-4-ium-5-uide; In acetonitrile; at 50 ℃; for 5h; under 1500.15 Torr; Irradiation; Green chemistry;

DOI:10.1080/00397911.2014.932811

Reference yield: 71.0%

1,3-Benzothiazole (95-16-9) + 2-ethoxylbenzaldehyde (613-69-4) → 2-(2-ethoxyphenyl)-1,3-benzothiazole (6265-58-3)

Guidance literature:

With dipotassium peroxodisulfate; In water; dimethyl sulfoxide; at 100 ℃; for 3h; Inert atmosphere;

DOI:10.1021/jo300740j

upstream raw materials:

2-ethoxybenzoyl chloride

2-amino-benzenethiol

1,3-Benzothiazole

2-ethoxylbenzaldehyde

Refernces

• 1、 Liu, Jidan,Gui, Qingwen,Yang, Zhiyong,Tan, Ze,Guo, Ruqing,Shi, Ji-Cheng. "Synthesis of 2-substituted benzothiazoles from 1-iodo-2-nitrobenzenes by a copper-catalyzed one-pot three-component reaction". . p. 943 - 951. Retrieved 2013/05/08.
• 2、 Choi, Suk-June,Park, Hyen Joo,Lee, Sang Kook,Kim, Sang Woong,Han, Gyoonhee,Choo, Hea-Young Park. "Solid phase combinatorial synthesis of benzothiazoles and evaluation of topoisomerase II inhibitory activity". . p. 1229 - 1235. Retrieved 2007/10/03.