1,2-Benzisoselenazol-3(2H)-one, 2-(4-fluorophenyl)-

Base Information

Chemical Name:1,2-Benzisoselenazol-3(2H)-one, 2-(4-fluorophenyl)-
CAS No.:81743-89-7
Molecular Formula:C13H8FNOSe
Molecular Weight:292.171
Hs Code.:
DSSTox Substance ID:DTXSID80231310
Wikidata:Q83112191
ChEMBL ID:CHEMBL3964347
Mol file:81743-89-7.mol

Synonyms:1,2-Benzisoselenazol-3(2H)-one, 2-(4-fluorophenyl)-;81743-89-7;2-(4-Fluorophenyl)-1,2-benzisoselenazol-3(2H)-one;CHEMBL3964347;C13H8FNOSe;SCHEMBL10501092;DTXSID80231310;BDBM50197350;LS-33522

Suppliers and Price of 1,2-Benzisoselenazol-3(2H)-one, 2-(4-fluorophenyl)-

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
1,2-BENZISOSELENAZOL-3(2H)-ONE, 2-(4-FLUOROPHENYL)- 95.00%
5MG
$ 504.61

Total 4 raw suppliers

Chemical Property of 1,2-Benzisoselenazol-3(2H)-one, 2-(4-fluorophenyl)-

Chemical Property:

Vapor Pressure:3.14E-07mmHg at 25°C
Boiling Point:419°Cat760mmHg
Flash Point:207.2°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:304

Purity/Quality:

99%+ ^*data from raw suppliers

1,2-BENZISOSELENAZOL-3(2H)-ONE, 2-(4-FLUOROPHENYL)- 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=C(C=C3)F

Technology Process of 1,2-Benzisoselenazol-3(2H)-one, 2-(4-fluorophenyl)-

There total 7 articles about 1,2-Benzisoselenazol-3(2H)-one, 2-(4-fluorophenyl)- 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: 52.0%

: 153386-08-4
2-iodo-N-(4-fluorophenyl)benzamide

: 81743-89-7
2-(4-fluorophenyl)benzo[d][1,2] selenazol-3(2H)-one

Guidance literature:: With copper(l) iodide; 1,10-Phenanthroline; potassium selenocyanate; caesium carbonate; In N,N-dimethyl-formamide; at 100 ℃; for 1h; Inert atmosphere;
DOI:10.1021/acs.joc.7b00440

Reference yield:

: 1441-85-6
2-(chloroseleno)benzoyl chloride

: 371-40-4
4-fluoroaniline

: 81743-89-7
2-(4-fluorophenyl)benzo[d][1,2] selenazol-3(2H)-one

Guidance literature:: With triethylamine; In acetonitrile;
DOI:10.1016/j.bmcl.2016.09.050

Reference yield:

: 609-67-6
2-Iodobenzoyl chloride

: 371-40-4
4-fluoroaniline

: 81743-89-7
2-(4-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