1,2-Benzisoselenazol-3(2H)-one, 2-(3-methoxyphenyl)-

Base Information

Chemical Name:1,2-Benzisoselenazol-3(2H)-one, 2-(3-methoxyphenyl)-
CAS No.:81743-98-8
Molecular Formula:C14H11NO2Se
Molecular Weight:304.207
Hs Code.:
DSSTox Substance ID:DTXSID60231318
Wikidata:Q83112203
ChEMBL ID:CHEMBL5074774
Mol file:81743-98-8.mol

Synonyms:81743-98-8;1,2-Benzisoselenazol-3(2H)-one, 2-(3-methoxyphenyl)-;2-(3-Methoxyphenyl)-1,2-benzisoselenazol-3(2H)-one;CHEMBL5074774;SCHEMBL10501563;DTXSID60231318;LS-33530

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

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-(3-METHOXYPHENYL)- 95.00%
5MG
$ 496.18

Total 3 raw suppliers

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

Chemical Property:

Vapor Pressure:2.03E-08mmHg at 25°C
Boiling Point:453.7°Cat760mmHg
Flash Point:228.2°C
PSA：31.23000
Density:g/cm³
LogP:2.05630
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:304.99550
Heavy Atom Count:18
Complexity:323

Purity/Quality:: 1,2-BENZISOSELENAZOL-3(2H)-ONE, 2-(3-METHOXYPHENYL)- 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=CC=CC(=C1)N2C(=O)C3=CC=CC=C3[Se]2

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

There total 6 articles about 1,2-Benzisoselenazol-3(2H)-one, 2-(3-methoxyphenyl)- 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: 65.0%

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

: 536-90-3,918666-97-4
m-Anisidine

: 81743-98-8
2-(3-methoxyphenyl)-1,2-benzoisoselenazole-3(2H)-one

Guidance literature:: With triethylamine; In acetonitrile; at 20 ℃; for 2h;
DOI:10.3390/molecules22060974

Reference yield: 35.0%

: 36684-48-7
2-iodo-N-(3-methoxy-phenyl)-benzamide

: 81743-98-8
2-(3-methoxyphenyl)-1,2-benzoisoselenazole-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:10.1016/j.bioorg.2021.105455

Reference yield:

: 118-92-3,159201-01-1,50816-84-7,80206-34-4,104809-47-4
anthranilic acid

: 81743-98-8
2-(3-methoxyphenyl)-1,2-benzoisoselenazole-3(2H)-one

Guidance literature:: Multi-step reaction with 3 steps

1.1: sodium nitrite; hydrogenchloride / -7 - -5 °C

1.2: -7 - 0 °C

2.1: thionyl chloride; N,N-dimethyl-formamide

3.1: triethylamine / acetonitrile

With hydrogenchloride; thionyl chloride; triethylamine; N,N-dimethyl-formamide; sodium nitrite; In acetonitrile;
DOI:10.3998/ark.5550190.p009.797