6-Amino-1,2-benzisothiazol-3(2H)-one

Base Information

Chemical Name:6-Amino-1,2-benzisothiazol-3(2H)-one
CAS No.:148193-37-7
Molecular Formula:C₇H₆N₂OS
Molecular Weight:166.203
Hs Code.:
DSSTox Substance ID:DTXSID10933335
Nikkaji Number:J415.758C
Wikidata:Q82909151
Mol file:148193-37-7.mol

Synonyms:148193-37-7;6-Amino-1,2-benzisothiazol-3(2H)-one;6-amino-2,3-dihydro-1,2-benzothiazol-3-one;CCRIS 6372;SCHEMBL5807922;DTXSID10933335;6-Amino-1,2-benzothiazol-3-ol;AKOS026727181;EN300-142436;Z1262664713

Suppliers and Price of 6-Amino-1,2-benzisothiazol-3(2H)-one

Supply Marketing:

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

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Chemical Property of 6-Amino-1,2-benzisothiazol-3(2H)-one

Chemical Property:

Density:1.473g/cm³
XLogP3:0.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:0
Exact Mass:166.02008399
Heavy Atom Count:11
Complexity:185

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC2=C(C=C1N)SNC2=O

Technology Process of 6-Amino-1,2-benzisothiazol-3(2H)-one

There total 2 articles about 6-Amino-1,2-benzisothiazol-3(2H)-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: 24.0%

: 609783-21-3
4-amino-2-bromobenzamide

: 148193-37-7
6-aminobenzo[d]isothiazol-3(2H)-one

Guidance literature:: With 1,4-diaza-bicyclo[2.2.2]octane; copper(l) iodide; 1,10-Phenanthroline; potassium thioacyanate; tetra-(n-butyl)ammonium iodide; In water; at 20 - 140 ℃; for 12.5h; Sealed tube; Inert atmosphere;
DOI:10.1016/j.bmcl.2022.128526

Reference yield:

: 98545-64-3
methyl-2-bromo-4-aminobenzoate

: 148193-37-7
6-aminobenzo[d]isothiazol-3(2H)-one

Guidance literature:: Multi-step reaction with 2 steps

1: ammonium hydroxide / methanol / 20 °C

2: potassium thioacyanate; copper(l) iodide; 1,10-Phenanthroline; 1,4-diaza-bicyclo[2.2.2]octane; tetra-(n-butyl)ammonium iodide / water / 12.5 h / 20 - 140 °C / Sealed tube; Inert atmosphere

With 1,4-diaza-bicyclo[2.2.2]octane; ammonium hydroxide; copper(l) iodide; 1,10-Phenanthroline; potassium thioacyanate; tetra-(n-butyl)ammonium iodide; In methanol; water;
DOI:10.1016/j.bmcl.2022.128526