3-Methyl-1,2-benzothiazole-1,1-dione

Base Information

Chemical Name:3-Methyl-1,2-benzothiazole-1,1-dione
CAS No.:34989-82-7
Molecular Formula:C8H7NO2S
Molecular Weight:181.215
Hs Code.:
European Community (EC) Number:812-907-6
DSSTox Substance ID:DTXSID20450407
Nikkaji Number:J283.801J,J2.342.291C
Wikidata:Q82270114

Synonyms:34989-82-7;3-Methyl-1,2-benzothiazole-1,1-dione;3-methyl-1,2-benzothiazole 1,1-dioxide;1,2-Benzisothiazole, 3-methyl-, 1,1-dioxide;SCHEMBL652970;DTXSID20450407;AKOS033553022;3-Methylbenzo[d]isothiazole 1,1-dioxide;3-Methyl-1,2-benzisothiazole 1,1-dioxide;CS-0352270;3-methyl-1lambda6,2-benzothiazole-1,1-dione;EN300-84845;3-Methyl-1-thia(VI)-2-aza-1H-indene-1,1-dione;Z1255354907

Suppliers and Price of 3-Methyl-1,2-benzothiazole-1,1-dione

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 5 raw suppliers

Chemical Property of 3-Methyl-1,2-benzothiazole-1,1-dione

Chemical Property:

XLogP3:1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:0
Exact Mass:181.01974964
Heavy Atom Count:12
Complexity:312

Purity/Quality:: 99.9% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=NS(=O)(=O)C2=CC=CC=C12

Technology Process of 3-Methyl-1,2-benzothiazole-1,1-dione

There total 2 articles about 3-Methyl-1,2-benzothiazole-1,1-dione 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: 40.0%

: 135347-23-8
(2S,4S)-4-((R)-3-Methyl-1,1-dioxo-2,3-dihydro-1H-1λ⁶-benzo[d]isothiazol-3-yl)-5-oxo-pyrrolidine-1,2-dicarboxylic acid 2-benzyl ester 1-tert-butyl ester

: 34989-82-7
3-methylbenzo[d]isothiazole-1,1-dioxide

: 113400-36-5,400626-71-3
benzyl (2S)-N-tert-butoxycarbonyl-5-oxoprolinate

Guidance literature:: With lithium hexamethyldisilazane; In tetrahydrofuran; 1.) -78 deg C, 30 min, 2.) -78 deg C -> room temperature, 2 h;
DOI:10.1016/S0040-4020(97)00666-2

Reference yield: 13.0%

: 143105-03-7
N-acetyl-2-chlorobenzenesulfonamide

: 34989-82-7
3-methylbenzo[d]isothiazole-1,1-dioxide

: 5661-14-3
N-(phenylsulfonyl)acetamide

: 143105-08-2
3-methyl-7-chloro-1,2-benzisothiazole 1,1-dioxide

Guidance literature:: With n-butyllithium; sodium hydride; In tetrahydrofuran; at -78 ℃; for 0.5h; Product distribution; Mechanism; multistep reaction; various times and temperatures; other N-acylbenzenesulfonamides; other cyclization reagents;
DOI:10.1021/jo00046a012

Reference yield: 99.0%

: 34989-82-7
3-methylbenzo[d]isothiazole-1,1-dioxide

: 98-80-6
phenylboronic acid

: C₁₄H₁₃NO₂S

Guidance literature:: With silver tetrafluoroborate; C₃₀H₃₈Cl₂NPPd; In 1,2-dichloro-ethane; at 65 ℃; for 1h; enantioselective reaction;
DOI:10.1002/adsc.201700003