1,2-benzisothiazol-3(2H)-one, sodium salt

Base Information

• Chemical Name: 1,2-benzisothiazol-3(2H)-one, sodium salt
• CAS No.: 58249-25-5
• Molecular Formula: C7H5NOS·Na
• Molecular Weight: 173.171
• European Community (EC) Number: 261-184-8
• DSSTox Substance ID: DTXSID601016747
• Mol file: 58249-25-5.mol

Synonyms:1,2-Benzisothiazol-3(2H)-one,sodium salt (9CI);1,2-Benzisothiazolin-3-one, sodium deriv. (7CI);Promex Na 20S;

Chemical Property of 1,2-benzisothiazol-3(2H)-one, sodium salt

Chemical Property:

• PSA: 58.20000
• LogP: 1.21870
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 172.99112921
• Heavy Atom Count: 11
• Complexity: 165

Purity/Quality:

99% ^*data from raw suppliers

1,2-Benzoisothiazolin-3-one, sodium salt ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)[N-]S2.[Na+]

Technology Process of 1,2-benzisothiazol-3(2H)-one, sodium salt

There total 1 articles about 1,2-benzisothiazol-3(2H)-one, sodium salt 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: 98.0%

1,2-benzisothiazolin-3-one (2634-33-5) → sale sodico del 1,2-benzisotiazolin-3-one (58249-25-5)

Guidance literature:

With sodium hydroxide; In methanol; at 50 ℃; for 1h;

Reference yield: 97.0%

1-bromo-butane (109-65-9) + sale sodico del 1,2-benzisotiazolin-3-one (58249-25-5) → 2-butyl-1,2-benzothiazolin-3-one (4299-07-4)

Guidance literature:

In acetonitrile; at 50 ℃; for 5h;

Reference yield: 90.0%

(bis(diphenylphosphino)methane)palladium(II) dichloride (38425-01-3) + sale sodico del 1,2-benzisotiazolin-3-one (58249-25-5) → [Pd(benzisothiazolinate)2(k2-bis(diphenylphosphino)methane)2] + [Pd2(benzisothiazolinate)4(μ-bis(diphenylphosphino)methane)2]

Guidance literature:

In ethanol; dichloromethane; for 4h; Overall yield = 0.058 g; Reflux;

DOI:10.1016/j.ica.2015.07.005

upstream raw materials:

1,2-benzisothiazolin-3-one

Downstream raw materials:

2-benzo[d]isothiazol-3-yloxy-1-phenyl-ethanone

2-benzoyl-2,3-dihydro-benzo[e][1,3]thiazin-4-one

2-(2-oxo-2-phenyl-ethyl)-benzo[d]isothiazol-3-one

3-oxo-1,2-benzisotiazolin-2-ilcarbossilato etilico

Refernces

• 1、 Yu, Peng,Li, Xi,Zhang, Xiao,Xu, Yanhua. "Synthesis and bioactivity of novel 2-(1,2-benzisothiazol-3-yloxy)-N-(1-aryl-3-cyanopyrazol-5-yl) acetamides". . p. 397 - 405. Retrieved 2020/09/04.
• 2、 -. "Process for preparing benzisothiazolinones". Paragraph 0019. . Retrieved 2014/11/27.