2-[(1,3-Benzothiazol-2-yl)sulfanyl]-1-(4-hydroxy-3-methoxyphenyl)ethan-1-one

Base Information

• Chemical Name: 2-[(1,3-Benzothiazol-2-yl)sulfanyl]-1-(4-hydroxy-3-methoxyphenyl)ethan-1-one
• CAS No.: 65782-70-9
• Molecular Formula: C₁₆H₁₃NO₃S₂
• Molecular Weight: 331.416
• DSSTox Substance ID: DTXSID50496318
• Wikidata: Q82345086

Synonyms:65782-70-9;DTXSID50496318;2-[(1,3-Benzothiazol-2-yl)sulfanyl]-1-(4-hydroxy-3-methoxyphenyl)ethan-1-one

Chemical Property of 2-[(1,3-Benzothiazol-2-yl)sulfanyl]-1-(4-hydroxy-3-methoxyphenyl)ethan-1-one

Chemical Property:

• XLogP3: 4.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 331.03368562
• Heavy Atom Count: 22
• Complexity: 396

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)C(=O)CSC2=NC3=CC=CC=C3S2)O

Technology Process of 2-[(1,3-Benzothiazol-2-yl)sulfanyl]-1-(4-hydroxy-3-methoxyphenyl)ethan-1-one

There total 1 articles about 2-[(1,3-Benzothiazol-2-yl)sulfanyl]-1-(4-hydroxy-3-methoxyphenyl)ethan-1-one 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:

α-bromo-3-methoxy-4-hydroxyacetophenone (69638-06-8) + sodium 2-mercaptobenzothiazole (2492-26-4) → 2-benzothiazol-2-ylsulfanyl-1-(4-hydroxy-3-methoxy-phenyl)-ethanone (65782-70-9)

Guidance literature:

In methanol; chloroform; for 1h; Ambient temperature;

Reference yield:

2-benzothiazol-2-ylsulfanyl-1-(4-hydroxy-3-methoxy-phenyl)-ethanone (65782-70-9) → 3-(4-hydroxy-3-methoxy-phenyl)-benzo[d]thiazolo[2,3-b]thiazolylium; perchlorate

Guidance literature:

With perchloric acid; at 90 - 95 ℃; for 2h;

upstream raw materials:

α-bromo-3-methoxy-4-hydroxyacetophenone

sodium 2-mercaptobenzothiazole

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