2-(2-Fluorophenyl)-1,2-benzisoselenazol-3(2H)-one

Base Information

Chemical Name:2-(2-Fluorophenyl)-1,2-benzisoselenazol-3(2H)-one
CAS No.:81743-95-5
Molecular Formula:C13H8FNOSe
Molecular Weight:292.171
Hs Code.:
DSSTox Substance ID:DTXSID80231315
Wikidata:Q83112199
ChEMBL ID:CHEMBL5085860
Mol file:81743-95-5.mol

Synonyms:2-(2-Fluorophenyl)-1,2-benzisoselenazol-3(2H)-one;81743-95-5;1,2-Benzisoselenazol-3(2H)-one, 2-(2-fluorophenyl)-;CHEMBL5085860;SCHEMBL10501611;DTXSID80231315;LS-33521

Suppliers and Price of 2-(2-Fluorophenyl)-1,2-benzisoselenazol-3(2H)-one

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
2-(2-FLUOROPHENYL)-1,2-BENZISOSELENAZOL-3(2H)-ONE 95.00%
5MG
$ 501.60

Total 5 raw suppliers

Chemical Property of 2-(2-Fluorophenyl)-1,2-benzisoselenazol-3(2H)-one

Chemical Property:

Vapor Pressure:1.46E-06mmHg at 25°C
Melting Point:160-161 °C
Boiling Point:398.6°Cat760mmHg
PKA:-0?+-.0.20(Predicted)
Flash Point:194.8°C
PSA：22.00000
Density:g/cm³
LogP:2.18680
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:292.97551
Heavy Atom Count:17
Complexity:312

Purity/Quality:

99%+ ^*data from raw suppliers

2-(2-FLUOROPHENYL)-1,2-BENZISOSELENAZOL-3(2H)-ONE 95.00% ^*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([Se]2)C3=CC=CC=C3F

Technology Process of 2-(2-Fluorophenyl)-1,2-benzisoselenazol-3(2H)-one

There total 2 articles about 2-(2-Fluorophenyl)-1,2-benzisoselenazol-3(2H)-one 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: 71.0%

: 333349-08-9
2-iodo-N-(2-fluorophenyl)benzamide

: 81743-95-5
2-(2-fluorophenyl)benzo[d][1,2]selenazol-3(2H)-one

Guidance literature:: With selenium; copper(l) iodide; 1,10-Phenanthroline; potassium carbonate; In N,N-dimethyl-formamide; at 90 ℃; for 16h; Inert atmosphere;
DOI:10.1016/j.tet.2011.09.141

Reference yield:

: 348-54-9
2-Fluoroaniline

: 609-67-6
2-Iodobenzoyl chloride

: 81743-95-5
2-(2-fluorophenyl)benzo[d][1,2]selenazol-3(2H)-one

Guidance literature:: Multi-step reaction with 2 steps

1: triethylamine / dichloromethane / 3 h / 0 - 20 °C / Inert atmosphere

2: sodium t-butanolate; selenium / N,N-dimethyl-formamide / 12 h / 130 °C / Inert atmosphere

With selenium; triethylamine; sodium t-butanolate; In dichloromethane; N,N-dimethyl-formamide;
DOI:10.1021/acs.jmedchem.1c00566