Benzothiazole, 6-methoxy-2-phenyl-

Base Information

• Chemical Name: Benzothiazole, 6-methoxy-2-phenyl-
• CAS No.: 10205-69-3
• Molecular Formula: C14H11NOS
• Molecular Weight: 241.313
• DSSTox Substance ID: DTXSID10438259
• Nikkaji Number: J1.516.168J
• Wikidata: Q82253941
• Mol file: 10205-69-3.mol

Synonyms:10205-69-3;Benzothiazole, 6-methoxy-2-phenyl-;SCHEMBL2138572;2-phenyl-6-methoxybenzothiazole;DTXSID10438259;6-Methoxy-2-phenylbenzo[d]thiazole;PD148317

Chemical Property of Benzothiazole, 6-methoxy-2-phenyl-

Chemical Property:

• 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: 255

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC2=C(C=C1)N=C(S2)C3=CC=CC=C3

Technology Process of Benzothiazole, 6-methoxy-2-phenyl-

There total 47 articles about Benzothiazole, 6-methoxy-2-phenyl- 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: 95.0%

N-(4-methoxyphenyl)benzothioamide (5310-26-9) → 6-methoxy-2-phenylbenzothiazole (10205-69-3)

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: 90.0%

6-methoxy-1,3-benzothiazole (2942-13-4) + benzaldehyde (100-52-7) → 6-methoxy-2-phenylbenzothiazole (10205-69-3)

Guidance literature:

With tert.-butylhydroperoxide; N-chloro-succinimide; In decane; dimethyl sulfoxide; at 120 ℃; for 12h; Inert atmosphere;

DOI:10.1016/j.tetlet.2020.151807

Reference yield: 90.0%

3-iodo-4-nitroanisol (214279-40-0) + benzaldehyde (100-52-7) → 6-methoxy-2-phenylbenzothiazole (10205-69-3)

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

upstream raw materials:

N-(4-methoxyphenyl)benzothioamide

thiobenzoic acid S-(2-benzoylamino-5-methoxy-phenyl ester)

sodium acetate

acetic acid

Downstream raw materials:

6-hydroxy-2-phenylbenzothiazole

6-methoxy-7-nitro-2-phenyl-benzothiazole

bis(2-amino-5-methoxyphenyl)disulfide

2-(6-methoxybenzo[d]thiazol-2-yl)phenyl acetate