Benzothiazole, 2-(2-methoxyphenyl)-

Base Information

• Chemical Name: Benzothiazole, 2-(2-methoxyphenyl)-
• CAS No.: 6269-47-2
• Molecular Formula: C14H11NOS
• Molecular Weight: 241.313
• NSC Number: 33754
• DSSTox Substance ID: DTXSID90978300
• Nikkaji Number: J1.779.100A
• Wikidata: Q82963647
• ChEMBL ID: CHEMBL499212
• Mol file: 6269-47-2.mol

Synonyms:6269-47-2;2-(2-Methoxyphenyl)benzo[d]thiazole;Benzothiazole, 2-(2-methoxyphenyl)-;2-(2-methoxyphenyl)-1,3-benzothiazole;2-(2-Methoxyphenyl)benzothiazole;BRN 0201075;CHEMBL499212;NSC33754;Maybridge3_003405;SCHEMBL2088159;DTXSID90978300;HMS1440K17;ARK101053;BDBM50293124;NSC 33754;NSC-33754;STK050501;AKOS000625717;IDI1_014792;LS-40791;CS-0331563;2-(1,3-benzothiazol-2-yl)phenyl methyl ether

Chemical Property of Benzothiazole, 2-(2-methoxyphenyl)-

Chemical Property:

• Vapor Pressure: 2.67E-06mmHg at 25°C
• Boiling Point: 401.8°C at 760 mmHg
• Flash Point: 196.8°C
• PSA: 50.36000
• Density: 1.234g/cm³
• LogP: 3.97190
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 241.05613515
• Heavy Atom Count: 17
• Complexity: 261

Purity/Quality:

99% ^*data from raw suppliers

2-(2-METHOXY-PHENYL)-BENZOTHIAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC=C1C2=NC3=CC=CC=C3S2

Technology Process of Benzothiazole, 2-(2-methoxyphenyl)-

There total 51 articles about Benzothiazole, 2-(2-methoxyphenyl)- 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-amino-benzenethiol (137-07-5) + ortho-anisaldehyde (135-02-4) → 2-(2-methoxyphenyl)benzothiazole (6269-47-2)

Guidance literature:

With tungstophosphoric acid impregnated zirconium phosphate; at 20 ℃; for 0.25h; Neat (no solvent);

DOI:10.1002/hc.20534

Reference yield: 92.0%

2-methoxy-N-phenylthiobenzamide → 2-(2-methoxyphenyl)benzothiazole (6269-47-2)

Guidance literature:

With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; In chloroform; at 20 ℃; for 12h; Inert atmosphere; Irradiation;

DOI:10.1021/acs.orglett.8b03679

Reference yield: 91.0%

N-(2-bromophenyl)-2-methoxybenzothioamide → 2-(2-methoxyphenyl)benzothiazole (6269-47-2)

Guidance literature:

With sodium phosphate; In dimethyl sulfoxide; at 20 ℃; for 8h; Inert atmosphere; Irradiation;

DOI:10.1021/acs.orglett.1c00235

upstream raw materials:

2-amino-benzenethiol

ortho-anisaldehyde

2-(benzothiazol-2-yl)phenol

dimethyl sulfate

Refernces

• 1、 Nagaoka, Shin-ichi,Itoh, Akinori,Mukai, Kazuo,Nagashima, Umpei. "Investigation of Triplet States of 2-(2'-Hydroxyphenyl)benzothiazole and 2-(2'-Hydroxyphenyl)benzoxazole by Transient Absorption Spectroscopy and ab Initio Calculations". . p. 11385 - 11392. Retrieved 1993.
• 2、 Datta, Arup. "Pentafluorophenylammonium Triflate: A Mild, Efficient and Reusable Catalyst for the Synthesis of 2-Arylbenzothiazole and 2-Arylbenzothiazoline Derivatives in a Green Chemical Approach". . p. 95 - 102. Retrieved 2021/03/29.
• 3、 Amouhadi, Elham,Fazaeli, Razieh,Aliyan, Hamid. "A Novel Synthesis of 2-Arylbenzimidazole and 2-Arylbenzothiazole Derivatives by MnO2/MOF-199". . p. 495 - 502. Retrieved 2021/02/09.