6-Methoxy-2-(p-tolyl)benzo[d]thiazole

Base Information

• Chemical Name: 6-Methoxy-2-(p-tolyl)benzo[d]thiazole
• CAS No.: 101078-51-7
• Molecular Formula: C15H13NOS
• Molecular Weight: 255.34
• DSSTox Substance ID: DTXSID20544714
• Nikkaji Number: J2.388.944G
• Wikidata: Q82421946
• Mol file: 101078-51-7.mol

Synonyms:6-Methoxy-2-(p-tolyl)benzo[d]thiazole;101078-51-7;6-Methoxy-2-(4-methylphenyl)-1,3-benzothiazole;Benzothiazole, 6-methoxy-2-(4-methylphenyl)-;6-methoxy-2-p-tolylbenzo[d]thiazole;SCHEMBL26017584;DTXSID20544714;BEA07851;MFCD17211091;AKOS026674218;DS-9977;CS-0160569;C71059;A907346

Chemical Property of 6-Methoxy-2-(p-tolyl)benzo[d]thiazole

Chemical Property:

• PSA: 50.36000
• LogP: 4.28030
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 255.07178521
• Heavy Atom Count: 18
• Complexity: 278

Purity/Quality:

99% ^*data from raw suppliers

6-Methoxy-2-(p-tolyl)benzo[d]thiazole 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C2=NC3=C(S2)C=C(C=C3)OC

Technology Process of 6-Methoxy-2-(p-tolyl)benzo[d]thiazole

There total 10 articles about 6-Methoxy-2-(p-tolyl)benzo[d]thiazole 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: 100.0%

4-methyl-N-(4-methoxyphenyl)benzothioamide (21011-45-0) → 6-methoxy-2-(4-tolyl)-1,3-benzothiazole (101078-51-7)

Guidance literature:

With potassium hydroxide; potassium hexacyanoferrate(III); In water; for 3h; Ambient temperature;

DOI:10.1021/jm00155a037

Reference yield: 84.0%

4-methyl-benzaldehyde (104-87-0) + 4-methoxy-aniline (104-94-9) → 6-methoxy-2-(4-tolyl)-1,3-benzothiazole (101078-51-7)

Guidance literature:

With iodine; ammonium thiocyanate; In dimethyl sulfoxide; at 110 ℃; for 12h;

DOI:10.1021/acs.orglett.9b00245

Reference yield: 84.0%

3-iodo-4-nitroanisol (214279-40-0) + 4-methyl-benzaldehyde (104-87-0) → 6-methoxy-2-(4-tolyl)-1,3-benzothiazole (101078-51-7)

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

upstream raw materials:

4-methyl-N-(4-methoxyphenyl)benzothioamide

4-methyl-benzaldehyde

6-methoxy-3H-benzo[d][1,2,3]dithiazole 2-oxide

N-(4-methoxyphenyl)-4-methylbenzamide

Downstream raw materials:

2-p-Tolyl-benzothiazol-6-ol

Acetic acid 2-p-tolyl-benzothiazol-6-yl ester

diethyl 4-(5-hydroxybenzo[d] thiazol-2-yl)benzylphosphonate

Acetic acid 2-[4-(diethoxy-phosphorylmethyl)-phenyl]-benzothiazol-6-yl ester

Refernces

• 1、 Chen, Ru,Liu, Saiwen,Liu, Xinhua,Yang, Luo,Deng, Guo-Jun. "Palladium-catalyzed desulfitative C-H arylation of azoles with sodium sulfinates". . p. 7675 - 7679. Retrieved 2011.
• 2、 Bouchet, Lydia M.,Heredia, Adrián A.,Argüello, Juan E.,Schmidt, Luciana C.. "Riboflavin as Photoredox Catalyst in the Cyclization of Thiobenzanilides: Synthesis of 2-Substituted Benzothiazoles". supporting information. p. 610 - 614. Retrieved 2020/01/31.
• 3、 Zhang, Mingliang,Lu, Wen-Ting,Ruan, Wenqing,Zhang, Hui-Jun,Wen, Ting-Bin. "Copper-catalyzed solvent-free redox condensation of benzothiazoles with aldehydes or benzylic alcohols". . p. 1806 - 1809. Retrieved 2014/03/21.