2-(1-Hydroxy-1-phenylethyl)-3-methyl-1,3-benzothiazol-3-ium iodide

Base Information

Chemical Name:2-(1-Hydroxy-1-phenylethyl)-3-methyl-1,3-benzothiazol-3-ium iodide
CAS No.:104151-42-0
Molecular Formula:C16H16NOS.I
Molecular Weight:397.28
Hs Code.:
DSSTox Substance ID:DTXSID80542695
Mol file:104151-42-0.mol

Synonyms:104151-42-0;DTXSID80542695;2-(1-Hydroxy-1-phenylethyl)-3-methyl-1,3-benzothiazol-3-ium iodide

Suppliers and Price of 2-(1-Hydroxy-1-phenylethyl)-3-methyl-1,3-benzothiazol-3-ium iodide

Supply Marketing:

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

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Chemical Property of 2-(1-Hydroxy-1-phenylethyl)-3-methyl-1,3-benzothiazol-3-ium iodide

Chemical Property:

Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:396.99973
Heavy Atom Count:20
Complexity:318

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C1=CC=CC=C1)(C2=[N+](C3=CC=CC=C3S2)C)O.[I-]

Technology Process of 2-(1-Hydroxy-1-phenylethyl)-3-methyl-1,3-benzothiazol-3-ium iodide

There total 3 articles about 2-(1-Hydroxy-1-phenylethyl)-3-methyl-1,3-benzothiazol-3-ium iodide 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: 85.0%

: 24893-48-9
1-(benzo[d]thiazol-2-yl)-1-phenylethanol

: 74-88-4
methyl iodide

: 104151-42-0
3-methyl-2-(1-methyl-1-hydroxy)benzothiazolium iodide

Guidance literature:: In N,N-dimethyl-formamide; for 98h; Heating;
DOI:10.1246/bcsj.61.3637

Reference yield:

: 95-16-9
1,3-Benzothiazole

: 104151-42-0
3-methyl-2-(1-methyl-1-hydroxy)benzothiazolium iodide

Guidance literature:: Multi-step reaction with 2 steps

1: 88 percent / 1.6 M n-BuLi / tetrahydrofuran; hexane / -78 deg C, 1 h; 10 min

2: 85 percent / dimethylformamide / 98 h / Heating

With n-butyllithium; In tetrahydrofuran; hexane; N,N-dimethyl-formamide;
DOI:10.1246/bcsj.61.3637

Reference yield:

: 98-86-2
acetophenone

: 104151-42-0
3-methyl-2-(1-methyl-1-hydroxy)benzothiazolium iodide

Guidance literature:: Multi-step reaction with 2 steps

1: 88 percent / 1.6 M n-BuLi / tetrahydrofuran; hexane / -78 deg C, 1 h; 10 min

2: 85 percent / dimethylformamide / 98 h / Heating

With n-butyllithium; In tetrahydrofuran; hexane; N,N-dimethyl-formamide;
DOI:10.1246/bcsj.61.3637