2-(2-Hydroxyethyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide

Base Information

• Chemical Name: 2-(2-Hydroxyethyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide
• CAS No.: 6343-81-3
• Molecular Formula: C9H9 N O4 S
• Molecular Weight: 227.241
• Hs Code.: 2934100090
• European Community (EC) Number: 228-743-8
• NSC Number: 49755
• UNII: SH8P8G7KTE
• DSSTox Substance ID: DTXSID40212847
• Nikkaji Number: J206.952K
• Wikidata: Q83088059
• ChEMBL ID: CHEMBL3360756
• Mol file: 6343-81-3.mol

Synonyms:6343-81-3;2-(2-Hydroxyethyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide;2-(2-hydroxyethyl)-1,1-dioxo-1,2-benzothiazol-3-one;2-(2-hydroxyethyl)-1,2-benzothiazol-3(2h)-one 1,1-dioxide;EINECS 228-743-8;NSC-49755;2-(2-hydroxyethyl)-2,3-dihydro-1lambda6,2-benzothiazole-1,1,3-trione;NSC49755;2-hydroxyethyl saccharine;SH8P8G7KTE;Oprea1_142670;Oprea1_602634;SCHEMBL9831972;CHEMBL3360756;DTXSID40212847;C9-H9-N-O4-S;BBL025577;MFCD00760681;NSC 49755;STL293364;2-(2-hydroxyethyl)-2,3-dihydro-1;AKOS003599230;VS-08018;CS-0364398;SR-01000312580;SR-01000312580-1;F3162-0142;2-(2-hydroxy-ethyl)-1,1-dioxo-benzo[d]isothiazol-3-one;2-(2-Hydroxyethyl)-1,2-benzisothiazole-3(2H)one 1,1-dioxide;2-(2-Hydroxyethyl)benzo[d]isothiazol-3(2H)-one 1,1-dioxide;1,2-Benzisothiazol-3(2H)-one, 2-(2-hydroxyethyl)-, 1,1-dioxide;1,2-Benzisothiazolin-3-one, 2-(2-hydroxyethyl)-, 1,1-dioxide;2-(2-hydroxyethyl)-2,3-dihydro-1??,2-benzothiazole-1,1,3-trione;2-(2-hydroxyethyl)-2,3-dihydro-1|E?,2-benzothiazole-1,1,3-trione

Chemical Property of 2-(2-Hydroxyethyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide

Chemical Property:

• Vapor Pressure: 4.85E-09mmHg at 25°C
• Boiling Point: 454.2°C at 760 mmHg
• Flash Point: 228.5°C
• PSA: 83.06000
• Density: 1.538g/cm³
• LogP: 0.84210
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 227.02522894
• Heavy Atom Count: 15
• Complexity: 359

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)CCO

Technology Process of 2-(2-Hydroxyethyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide

There total 6 articles about 2-(2-Hydroxyethyl)-1,2-benzisothiazol-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:

saccharin (81-07-2) + 2-bromoethanol (540-51-2) → 2-(2-hydroxyethyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide (6343-81-3)

Guidance literature:

saccharin; With sodium hydride; In N,N-dimethyl-formamide; at 20 ℃; for 1h;

2-bromoethanol; In N,N-dimethyl-formamide; at 120 ℃; for 0.0833333h; Microwave irradiation;

DOI:10.1016/j.bmcl.2014.12.006

Reference yield:

saccharin sodium salt (128-44-9) + 2-bromoethanol (540-51-2) → 2-(2-hydroxyethyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide (6343-81-3)

Guidance literature:

With N,N-dimethyl-formamide;

DOI:10.1021/ja01626a048

Reference yield:

[1,3]-dioxolan-2-one (96-49-1) + saccharin (81-07-2) → 2-(2-hydroxyethyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide (6343-81-3)

Guidance literature:

With sodium hydroxide; at 210 - 220 ℃;

DOI:10.1021/jo01090a601

upstream raw materials:

[1,3]-dioxolan-2-one

tetrachloromethane

saccharin

saccharin sodium salt

Downstream raw materials:

2(1,1,3-trioxo-2,3-dihydro-1,2-benzisothiazol-2-yl)ethyl 2,6-dimethyl-5-(ethoxycarbonyl)-4-methyl-1,4-dihydropyridincarboxylate

2,4,6-Trimethyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid 3-[2-(2-hydroxy-benzoylamino)-ethyl] ester 5-[2-(1,1,3-trioxo-1,3-dihydro-1λ⁶-benzo[d]isothiazol-2-yl)-ethyl] ester