ISOTHIAZOLINE 1,1-DIOXIDE

Base Information

• Chemical Name: ISOTHIAZOLINE 1,1-DIOXIDE
• CAS No.: 5908-62-3
• Molecular Formula: C3H7NO2S
• Molecular Weight: 121.16
• Hs Code.: 2934100090
• Mol file: 5908-62-3.mol

Synonyms:ISOTHIAZOLINE 1,1-DIOXIDE

Chemical Property of ISOTHIAZOLINE 1,1-DIOXIDE

Chemical Property:

• Melting Point: 145-146 °C
• Boiling Point: 128-132 °C(Press: 0.18 Torr)
• PKA: 11.52±0.20(Predicted)
• PSA: 54.55000
• Density: 1.326±0.06 g/cm3(Predicted)
• LogP: 0.71910
• Storage Temp.: 2-8°C

Purity/Quality:

98%Min ^*data from raw suppliers

PropaneSultam ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Propane Sultam is a reactant used in the synthesis of orally bioavailable hebatits B caspid inhibitors as well as in the preparation of cryptochrome imhibitors as antidiabetic agents.

Technology Process of ISOTHIAZOLINE 1,1-DIOXIDE

There total 2 articles about ISOTHIAZOLINE 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:

2-methylquinolin-8-yl [(L-leucyl)amino]propylsulfonate trifluoroacetate → isothiazolidine 1,1-dioxide (5908-62-3) + 2-methyl-8-quinolinol (826-81-3)

Guidance literature:

With Aeromonas proteolytica aminopeptidase; N-2-hydroxyethylpiperazine-N'-2-ethanesulfonic acid; In dimethyl sulfoxide; at 25 ℃; pH=8; Kinetics; Enzymatic reaction;

DOI:10.1016/j.bmcl.2015.11.074

Reference yield:

N-nitrosopropanesultam (108214-47-7) → 1,3-propanesultone (1120-71-4) + isothiazolidine 1,1-dioxide (5908-62-3) + 3-hydroxypropanesulfonic acid (15909-83-8)

Guidance literature:

With sodium carbonate; In chloroform; Product distribution; Heating; other sultams, var. reagents;

DOI:10.1021/jo00387a008

Reference yield: 99.0%

isothiazolidine 1,1-dioxide (5908-62-3) + p-methoxybenzyl chloride (824-94-2) → 2-(4-methoxybenzyl)-1,2-isothiazolidine-1,1-dioxide (158089-76-0)

Guidance literature:

With potassium carbonate; In acetonitrile; at 80 ℃; for 12h; Inert atmosphere;

upstream raw materials:

N-nitrosopropanesultam

Downstream raw materials:

2-(2,5-dimethyl-benzenesulfonyl)-isothiazolidine 1,1-dioxide

2-benzoyl-isothiazolidine 1,1-dioxide

2-(3-benzyl-5-bromo-benzyl)-isothiazolidine 1,1-dioxide

4-(1,1-dioxo-1λ6-isothiazolidin-2-yl)-benzoic acid methyl ester

Refernces

• 1、 White, Emil H.,Lim, Hyung M.. "N-Nitroso Sultams: On the Direction of Approach of Nucleophiles to the Sulfonyl Group". . p. 2162 - 2166. Retrieved 2007/10/02.