1,2-Benzothiazolin-3-one, 6-methyl-

Base Information

Chemical Name:1,2-Benzothiazolin-3-one, 6-methyl-
CAS No.:4337-47-7
Molecular Formula:C8H7NOS
Molecular Weight:165.216
Hs Code.:
NSC Number:48653
DSSTox Substance ID:DTXSID50195834
Wikidata:Q83068887
ChEMBL ID:CHEMBL2004221
Mol file:4337-47-7.mol

Synonyms:4337-47-7;1,2-Benzothiazolin-3-one, 6-methyl-;6-Methylbenzo[d]isothiazol-3(2H)-one;6-methyl-2,3-dihydro-1,2-benzothiazol-3-one;6-Methyl-1,2-benzisothiazolone;6-methyl-1,2-benzothiazol-3-one;NSC 48653;6-Methyl-1,2-benzisothiazolin-3-one;BRN 0637993;NSC48653;CHEMBL2004221;SCHEMBL11737600;DTXSID50195834;6-Methylbenzisothiazol-3(2H)-one;MFCD01659020;NSC-48653;1,2-Benzothiazolin-3-one,6-methyl-;NCI60_004158;SY295883;EN300-1117703

Suppliers and Price of 1,2-Benzothiazolin-3-one, 6-methyl-

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 7 raw suppliers

Chemical Property of 1,2-Benzothiazolin-3-one, 6-methyl-

Chemical Property:

Boiling Point:°Cat760mmHg
Flash Point:°C
Density:1.302g/cm³
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:165.02483502
Heavy Atom Count:11
Complexity:183

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC2=C(C=C1)C(=O)NS2

Technology Process of 1,2-Benzothiazolin-3-one, 6-methyl-

There total 6 articles about 1,2-Benzothiazolin-3-one, 6-methyl- 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: 56.0%

: 131002-03-4
4-methyl-2- bromobenzamide

: 4337-47-7
6-methylbenzo[d]isothiazol-3(2H)-one

Guidance literature:: With carbon disulfide; L-proline; copper(I) bromide; In dimethyl sulfoxide; at 80 ℃; for 6h;
DOI:10.1039/c6ob00819d

Reference yield: 48.0%

: 131002-03-4
4-methyl-2- bromobenzamide

: 333-20-0
potassium thioacyanate

: 4337-47-7
6-methylbenzo[d]isothiazol-3(2H)-one

Guidance literature:: With 1,4-diaza-bicyclo[2.2.2]octane; copper(l) iodide; 1,10-Phenanthroline; tetra-(n-butyl)ammonium iodide; In water; at 20 - 140 ℃; for 48.5h; Inert atmosphere;
DOI:10.1021/jo300250x

Reference yield:

: 7697-27-0
2-bromo-4-methylbenzoic acid

: 4337-47-7
6-methylbenzo[d]isothiazol-3(2H)-one

Guidance literature:: Multi-step reaction with 3 steps

1: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 4 h / 20 °C

2: ammonium hydroxide / water; tetrahydrofuran / 20 °C

3: potassium thioacyanate; 1,10-Phenanthroline; 1,4-diaza-bicyclo[2.2.2]octane; tetra-(n-butyl)ammonium iodide; copper(l) iodide / water / 48.5 h / 20 - 140 °C / Inert atmosphere; Sealed tube

With 1,4-diaza-bicyclo[2.2.2]octane; ammonium hydroxide; copper(l) iodide; 1,10-Phenanthroline; oxalyl dichloride; potassium thioacyanate; tetra-(n-butyl)ammonium iodide; N,N-dimethyl-formamide; In tetrahydrofuran; dichloromethane; water;