2-Methylisothiazolidine 1,1-dioxide

Base Information

• Chemical Name: 2-Methylisothiazolidine 1,1-dioxide
• CAS No.: 83634-83-7
• Molecular Formula: C4H9NO2S
• Molecular Weight: 135.187
• Hs Code.: 2934100090
• DSSTox Substance ID: DTXSID20574718
• Nikkaji Number: J2.287.432B
• Wikidata: Q82463864
• Mol file: 83634-83-7.mol

Synonyms:83634-83-7;2-Methylisothiazolidine 1,1-dioxide;N-Methyl-1,3-propanesultam;2-methyl-1,2-thiazolidine 1,1-dioxide;MFCD11053821;N-METHYL 1,1-DIOXO-ISOTHIAZOLIDINE;SCHEMBL761380;DTXSID20574718;2-Methylisothiazolidine1,1-dioxide;AKOS006308135;AS-62287;SY031095;CS-0456091;2-methyl-1lambda6,2-thiazolidine-1,1-dione;2-Methyl-1lambda~6~,2-thiazolidine-1,1-dione;EN300-1165961;2-METHYL-1??,2-THIAZOLIDINE-1,1-DIONE;A864244

Chemical Property of 2-Methylisothiazolidine 1,1-dioxide

Chemical Property:

• PSA: 45.76000
• LogP: 0.67040
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 135.03539970
• Heavy Atom Count: 8
• Complexity: 167

Purity/Quality:

97% ^*data from raw suppliers

N-Methyl-1,3-propanesultam ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCCS1(=O)=O

Technology Process of 2-Methylisothiazolidine 1,1-dioxide

There total 6 articles about 2-Methylisothiazolidine 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: 75.0%

3-chloro-propane-1-sulfonic acid methylamide (83635-06-7) → N-methyl-1,2-isothiazolidine-1,1-dioxide (83634-83-7)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In benzene; for 24h; Heating;

DOI:10.1021/jm9906015

Reference yield: 66.0%

methylamine (74-89-5) → N-methyl-1,2-isothiazolidine-1,1-dioxide (83634-83-7)

Guidance literature:

With potassium hydroxide; In ethanol; for 1.75h; Heating;

DOI:10.1021/ja00389a038

Reference yield: 60.0%

2-methyl isothiazoline (98572-09-9) → N-methyl-1,2-isothiazolidine-1,1-dioxide (83634-83-7)

Guidance literature:

With sodium periodate; In methanol; water; for 10h; Heating;

upstream raw materials:

2-methyl isothiazoline

methylamine

3-chloro-propane-1-sulfonic acid methylamide

2-[methyl(methylsulfonyl)amino]ethyl methanesulfonate

Downstream raw materials:

(3,5-di-tert-butyl-4-methoxymethoxy-phenyl)-(2-methyl-1,1-dioxo-1λ⁶-isothiazolidin-5-yl)-methanol

2-methyl-N-[1-(2-methyl-1,1-dioxido-5(R)-isothiazolidinyl)cyclohexyl]-2-propane-(S)-sulfinamide