Benzonitrile, 4-(3-oxo-1,2-benzisoselenazol-2(3H)-yl)-

Base Information

Chemical Name:Benzonitrile, 4-(3-oxo-1,2-benzisoselenazol-2(3H)-yl)-
CAS No.:81743-99-9
Molecular Formula:C₁₄H₈N₂OSe
Molecular Weight:299.19
Hs Code.:
DSSTox Substance ID:DTXSID20231319
Wikidata:Q83112205
ChEMBL ID:CHEMBL5094902

Synonyms:4-(3-Oxo-1,2-benzisoselenazol-2(3H)-yl)benzonitrile;Benzonitrile, 4-(3-oxo-1,2-benzisoselenazol-2(3H)-yl)-;81743-99-9;C14H8N2OSe;C14-H8-N2-O-Se;CHEMBL5094902;SCHEMBL10601304;DTXSID20231319;LS-38772

Suppliers and Price of Benzonitrile, 4-(3-oxo-1,2-benzisoselenazol-2(3H)-yl)-

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

Total 15 raw suppliers

Chemical Property of Benzonitrile, 4-(3-oxo-1,2-benzisoselenazol-2(3H)-yl)-

Chemical Property:

Vapor Pressure:7.26E-10mmHg at 25°C
Boiling Point:493.1°Cat760mmHg
Flash Point:252°C
Density:g/cm³
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:299.98018
Heavy Atom Count:18
Complexity:381

Purity/Quality:: 99% ,98%,Electron Grade , ^*data from raw 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)C#N

Technology Process of Benzonitrile, 4-(3-oxo-1,2-benzisoselenazol-2(3H)-yl)-

There total 4 articles about Benzonitrile, 4-(3-oxo-1,2-benzisoselenazol-2(3H)-yl)- 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: 85.0%

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

: 873-74-5
4-Aminobenzonitrile

: 81743-99-9
4-(3-oxobenzo[d][1,2]selenazol-2(3H)-yl)benzonitrile

Guidance literature:: In dichloromethane; at 20 ℃; for 1.5h;
DOI:10.1021/acs.jmedchem.1c02102

Reference yield:

: 134-20-3
2-carbomethoxyaniline

: 81743-99-9
4-(3-oxobenzo[d][1,2]selenazol-2(3H)-yl)benzonitrile

Guidance literature:: Multi-step reaction with 4 steps

1.1: water; sodium hydroxide / 12 h / 20 °C

2.1: hydrogenchloride; sodium nitrite / water / 1 h / Cooling with ice

2.2: 2 h / 70 °C

3.1: thionyl chloride / 5 h / Reflux

4.1: dichloromethane / 1.5 h / 20 °C

With hydrogenchloride; thionyl chloride; water; sodium hydroxide; sodium nitrite; In dichloromethane; water;
DOI:10.1021/acs.jmedchem.1c02102

Reference yield:

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

: 81743-99-9
4-(3-oxobenzo[d][1,2]selenazol-2(3H)-yl)benzonitrile

Guidance literature:: Multi-step reaction with 3 steps

1.1: hydrogenchloride; sodium nitrite / water / 1 h / Cooling with ice

1.2: 2 h / 70 °C

2.1: thionyl chloride / 5 h / Reflux

3.1: dichloromethane / 1.5 h / 20 °C

With hydrogenchloride; thionyl chloride; sodium nitrite; In dichloromethane; water;
DOI:10.1021/acs.jmedchem.1c02102