6-methoxybenzo[d]isothiazol-3(2H)-one 1,1-dioxide

Base Information

• Chemical Name: 6-methoxybenzo[d]isothiazol-3(2H)-one 1,1-dioxide
• CAS No.: 62473-95-4
• Molecular Formula: C₈H₇NO₄S
• Molecular Weight: 213.214
• European Community (EC) Number: 866-757-1
• Nikkaji Number: J989.888C
• Mol file: 62473-95-4.mol

Synonyms:62473-95-4;6-methoxybenzo[d]isothiazol-3(2H)-one 1,1-dioxide;6-methoxy-1,1-dioxo-1,2-benzothiazol-3-one;1,2-Benzisothiazol-3(2H)-one, 6-methoxy-, 1,1-dioxide;1,2-BENZISOTHIAZOL-3(2H)-ONE, 6-METHOXY, 1,1-DIOXIDE;6-Methoxybenzisothiazol-3(2H)-one 1,1-Dioxide;SCHEMBL5186168;FGWXGHBHIOINCJ-UHFFFAOYSA-N;MFCD09842512;AKOS027470095;SY287165;CS-0112287;EN300-703379;H11126;6-methoxybenzo[d]isothiazol-3(2H)-one1,1-dioxide;6-Methoxy-1,2-benzisothiazole-3(2H)-one 1,1-dioxide;6-methoxy-1,1-dioxo-1,2-dihydro-benzo[d]isothiazol-3-one;6-methoxy-2,3-dihydro-1|E?,2-benzothiazole-1,1,3-trione;6-methoxy-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione

Chemical Property of 6-methoxybenzo[d]isothiazol-3(2H)-one 1,1-dioxide

Chemical Property:

• PKA: 1.60±0.30(Predicted)
• Density: 1.505±0.06 g/cm3(Predicted)
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 213.00957888
• Heavy Atom Count: 14
• Complexity: 345

Purity/Quality:

95%+ ^*data from raw suppliers

6-METHOXY-1,2-BENZISOTHIAZOL-3(2H)-ONE-1,1-DIOXIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC2=C(C=C1)C(=O)NS2(=O)=O

Technology Process of 6-methoxybenzo[d]isothiazol-3(2H)-one 1,1-dioxide

There total 2 articles about 6-methoxybenzo[d]isothiazol-3(2H)-one 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: 70.0%

→ 6-methoxybenzo[d]isothiazol-3(2H)-one 1,1-dioxide (62473-95-4)

Guidance literature:

With ammonium cerium (IV) nitrate; In water; acetonitrile; at 0 - 20 ℃; for 5h;

Reference yield:

→ 6-methoxybenzo[d]isothiazol-3(2H)-one 1,1-dioxide (62473-95-4)

Guidance literature:

With potassium permanganate;

Reference yield:

6-methoxybenzo[d]isothiazol-3(2H)-one 1,1-dioxide (62473-95-4) → 4-Hydroxy-7-methoxy-2-methyl-1,1-dioxo-1,2-dihydro-1λ6-benzo[e][1,2]thiazine-3-carboxylic acid phenylamide

Guidance literature:

Multi-step reaction with 4 steps

1: 1.) NaH / 1.) DMF, 50 deg C, 30 min, 2.) DMF, 4 h

2: 25percent MeONa/MeOH / toluene / 4 h / 80 °C

3: 1M aq. NaOH / ethanol / 24 h / Ambient temperature

4: xylene / 48 h / Heating

With methanol; sodium hydroxide; sodium methylate; sodium hydride; In ethanol; toluene; xylene;

DOI:10.1021/jm9607010

Downstream raw materials:

2-sulfo-4-methoxybenzoic acid