2,3-Dihydro-3-methyl-1,2-benzisothiazole 1,1-dioxide

Base Information

• Chemical Name: 2,3-Dihydro-3-methyl-1,2-benzisothiazole 1,1-dioxide
• CAS No.: 84108-98-5
• Molecular Formula: C₈H₉NO₂S
• Molecular Weight: 183.231
• Hs Code.: 2934991000
• DSSTox Substance ID: DTXSID20476703
• Nikkaji Number: J1.316.736B
• Mol file: 84108-98-5.mol

Synonyms:84108-98-5;2,3-DIHYDRO-3-METHYL-1,2-BENZISOTHIAZOLE 1,1-DIOXIDE;3-Methyl-2,3-dihydrobenzo[d]isothiazole 1,1-dioxide;3-methyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide;MFCD19442797;1,2-Benzisothiazole, 2,3-dihydro-3-methyl-, 1,1-dioxide;2,3-Dihydro-3-methyl-1,2-benzisothiazole1,1-Dioxide;SCHEMBL17236157;DTXSID20476703;AC1801;AKOS015902845;CS-11315;SY015537;CS-0322365;FT-0713517;A864179;3-methyl-2,3-dihydro-1,2-benzothiazole-1,1-dione;3-methyl-2,3-dihydro-1lambda,2-benzothiazole-1,1-dione;3-Methyl-2,3-dihydro-1H-1lambda~6~,2-benzothiazole-1,1-dione;2 pound not3-Dihydro-3-methyl-1 pound not2-benzisothiazole 1 pound not1-Dioxide

Chemical Property of 2,3-Dihydro-3-methyl-1,2-benzisothiazole 1,1-dioxide

Chemical Property:

• PSA: 54.55000
• LogP: 2.44910
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 183.03539970
• Heavy Atom Count: 12
• Complexity: 267

Purity/Quality:

98% ^*data from raw suppliers

2,3-Dihydro-3-methyl-1,2-benzisothiazole1,1-Dioxide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C2=CC=CC=C2S(=O)(=O)N1

Technology Process of 2,3-Dihydro-3-methyl-1,2-benzisothiazole 1,1-dioxide

There total 26 articles about 2,3-Dihydro-3-methyl-1,2-benzisothiazole 1,1-dioxide 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: 100.0%

3-methylbenzo[d]isothiazole-1,1-dioxide (34989-82-7) → (±)-3-methyl-1,2-benzisothiazoline 1,1-dioxide (84108-98-5)

Guidance literature:

With Schwartz's reagent; In dichloromethane; at 20 ℃; for 0.333333h; chemoselective reaction; Inert atmosphere; Schlenk technique;

DOI:10.1002/ejoc.201901607

Reference yield: 98.0%

2-ethynyl-N-(4-methoxybenzyl)benzenesulfonamide → (±)-3-methyl-1,2-benzisothiazoline 1,1-dioxide (84108-98-5)

Guidance literature:

With triethylsilane; bis(trifluoromethanesulfonyl)amide; In 1,2-dichloro-ethane; at 50 ℃;

DOI:10.1039/C8CC04946G

Reference yield: 82.0%

(S)-2-ethynyl-N-(1-phenylethyl)benzenesulfonamide → (±)-3-methyl-1,2-benzisothiazoline 1,1-dioxide (84108-98-5)

Guidance literature:

With triethylsilane; bis(trifluoromethanesulfonyl)amide; In 1,2-dichloro-ethane; at 50 ℃;

DOI:10.1039/C8CC04946G

upstream raw materials:

3-methylbenzo[d]isothiazole-1,1-dioxide

2-Ethylbenzenesulfonamide

N-tert-butylbenzenesulfonamide

N-(tert-butyl)-2-ethylbenzenesulfonamide

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