Benzothiazole, 2-[[(4-methoxyphenyl)methyl]sulfonyl]-

Base Information

Chemical Name:Benzothiazole, 2-[[(4-methoxyphenyl)methyl]sulfonyl]-
CAS No.:156050-38-3
Molecular Formula:C15H13NO3S2
Molecular Weight:319.405
Hs Code.:
DSSTox Substance ID:DTXSID40469051
Nikkaji Number:J2.163.979F
Wikidata:Q82296622
Mol file:156050-38-3.mol

Synonyms:Benzothiazole, 2-[[(4-methoxyphenyl)methyl]sulfonyl]-;156050-38-3;DTXSID40469051

Suppliers and Price of Benzothiazole, 2-[[(4-methoxyphenyl)methyl]sulfonyl]-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 2 raw suppliers

Chemical Property of Benzothiazole, 2-[[(4-methoxyphenyl)methyl]sulfonyl]-

Chemical Property:

XLogP3:3.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:319.03368562
Heavy Atom Count:21
Complexity:440

Purity/Quality:: 99.90% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=CC=C(C=C1)CS(=O)(=O)C2=NC3=CC=CC=C3S2

Technology Process of Benzothiazole, 2-[[(4-methoxyphenyl)methyl]sulfonyl]-

There total 6 articles about Benzothiazole, 2-[[(4-methoxyphenyl)methyl]sulfonyl]- 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%

: 100498-97-3
2-<(4-methoxyphenyl)methylthio>benzothiazole

: 156050-38-3
2-<(4-methoxyphenyl)methylsulfonyl>benzothiazole

Guidance literature:: With sodium hydrogencarbonate; 3-chloro-benzenecarboperoxoic acid; In dichloromethane; at 20 ℃; for 5h;
DOI:10.1021/ol0627956

Reference yield: 89.0%

: 149-30-4,118090-09-8
2-Mercaptobenzothiazole

: 156050-38-3
2-<(4-methoxyphenyl)methylsulfonyl>benzothiazole

Guidance literature:: 2-Mercaptobenzothiazole; 1-(halomethyl)-4-methoxybenzene; With 1,8-diazabicyclo[5.4.0]undec-7-ene; In tetrahydrofuran; at 20 ℃;

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; at 20 ℃;
DOI:10.1021/acs.orglett.8b02483

Reference yield:

: 149-30-4,118090-09-8
2-Mercaptobenzothiazole

: 156050-38-3
2-<(4-methoxyphenyl)methylsulfonyl>benzothiazole

Guidance literature:: Multi-step reaction with 2 steps

1: 100 percent / DEAD; PPh₃ / tetrahydrofuran / 0 - 20 °C

2: 100 percent / m-CPBA; NaHCO₃ / CH₂Cl₂ / 5 h / 20 °C

With sodium hydrogencarbonate; 3-chloro-benzenecarboperoxoic acid; triphenylphosphine; diethylazodicarboxylate; In tetrahydrofuran; dichloromethane; 1: Mitsunobu reaction;
DOI:10.1021/ol0627956