3-Methoxy-1,2-benzisothiazole

Base Information

Chemical Name:3-Methoxy-1,2-benzisothiazole
CAS No.:40991-38-6
Molecular Formula:C8H7NOS
Molecular Weight:165.216
Hs Code.:
DSSTox Substance ID:DTXSID8074940
Nikkaji Number:J133.642H
Wikidata:Q82003055
Mol file:40991-38-6.mol

Synonyms:3-METHOXY-1,2-BENZISOTHIAZOLE;40991-38-6;3-methoxy-1,2-benzothiazole;1,2-Benzisothiazole, 3-methoxy-;SCHEMBL8140189;DTXSID8074940

Suppliers and Price of 3-Methoxy-1,2-benzisothiazole

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 1 raw suppliers

Chemical Property of 3-Methoxy-1,2-benzisothiazole

Chemical Property:

Vapor Pressure:0.867mmHg at 25°C
Boiling Point:187.5°C at 760 mmHg
PKA:2.06±0.30(Predicted)
Flash Point:67.2°C
PSA：50.36000
Density:1.268g/cm³
LogP:2.30490
XLogP3:2.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:165.02483502
Heavy Atom Count:11
Complexity:142

Purity/Quality:: 95%+ ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=NSC2=CC=CC=C21

Technology Process of 3-Methoxy-1,2-benzisothiazole

There total 4 articles about 3-Methoxy-1,2-benzisothiazole 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:

: 2634-33-5
1,2-benzisothiazolin-3-one

: 77-78-1
dimethyl sulfate

: 40991-38-6
3-methoxy-1,2-benzoisothiazole

: 2527-66-4
2-methyl-1,2-benzisothiazole-3(2H)-one

Guidance literature:: With potassium carbonate; In acetonitrile; at 20 - 25 ℃; for 0.002h; under 757.576 Torr; Reagent/catalyst; Temperature; Solvent; Overall yield = 4.87 g;

Reference yield:

: 1,2-benzisothiazolin-3-one lithium salt

: 74-88-4
methyl iodide

: 40991-38-6
3-methoxy-1,2-benzoisothiazole

: 2527-66-4
2-methyl-1,2-benzisothiazole-3(2H)-one

Guidance literature:: In tetrahydrofuran; at 20 ℃; for 72h; Reagent/catalyst; Solvent;

Reference yield:

: 2634-33-5
1,2-benzisothiazolin-3-one

: 40991-38-6
3-methoxy-1,2-benzoisothiazole

: 2527-66-4
2-methyl-1,2-benzisothiazole-3(2H)-one

Guidance literature:: Multi-step reaction with 2 steps

1: lithium hydroxide monohydrate / 1.5 h / 80 °C

2: tetrahydrofuran / 72 h / 20 °C

With lithium hydroxide monohydrate; In tetrahydrofuran;