Benzoic acid, 4-(3-oxo-1,2-benzisoselenazol-2(3H)-yl)-, ethyl ester

Base Information

Chemical Name:Benzoic acid, 4-(3-oxo-1,2-benzisoselenazol-2(3H)-yl)-, ethyl ester
CAS No.:81743-93-3
Molecular Formula:C16H13NO3Se
Molecular Weight:346.24
Hs Code.:
DSSTox Substance ID:DTXSID20231314
Nikkaji Number:J2.902.534G
Wikidata:Q83112196
Mol file:81743-93-3.mol

Synonyms:81743-93-3;Benzoic acid, 4-(3-oxo-1,2-benzisoselenazol-2(3H)-yl)-, ethyl ester;Ethyl 4-(3-oxo-1,2-benzisoselenazol-2(3H)-yl)benzoate;C16H13NO3Se;C16-H13-N-O3-Se;DTXSID20231314;LS-38058;2-[4-(Ethoxycarbonyl)phenyl]-1,2-benzoisoselenazole-3(2H)-one

Suppliers and Price of Benzoic acid, 4-(3-oxo-1,2-benzisoselenazol-2(3H)-yl)-, ethyl ester

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 3 raw suppliers

Chemical Property of Benzoic acid, 4-(3-oxo-1,2-benzisoselenazol-2(3H)-yl)-, ethyl ester

Chemical Property:

Vapor Pressure:6.38E-10mmHg at 25°C
Boiling Point:494.6°C at 760 mmHg
Flash Point:252.9°C
PSA：48.30000
LogP:2.22440
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:347.00607
Heavy Atom Count:21
Complexity:406

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of Benzoic acid, 4-(3-oxo-1,2-benzisoselenazol-2(3H)-yl)-, ethyl ester

There total 3 articles about Benzoic acid, 4-(3-oxo-1,2-benzisoselenazol-2(3H)-yl)-, ethyl ester 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:

: 94-09-7
p-aminoethylbenzoate

: 81743-93-3
ethyl 4-(3-oxobenzo[d][1,2]selenazol-2(3H)-yl)benzoate

Guidance literature:: Multi-step reaction with 2 steps

1: triethylamine / dichloromethane / 24 h / 20 °C / Inert atmosphere; Darkness

2: selenium; potassium tert-butylate / N,N-dimethyl-formamide / 48 h / 60 °C / Inert atmosphere

With selenium; potassium tert-butylate; triethylamine; In dichloromethane; N,N-dimethyl-formamide;
DOI:10.1002/ejic.201900407

Reference yield:

: 609-67-6
2-Iodobenzoyl chloride

: 81743-93-3
ethyl 4-(3-oxobenzo[d][1,2]selenazol-2(3H)-yl)benzoate

Guidance literature:: Multi-step reaction with 2 steps

1: triethylamine / dichloromethane / 24 h / 20 °C / Inert atmosphere; Darkness

2: selenium; potassium tert-butylate / N,N-dimethyl-formamide / 48 h / 60 °C / Inert atmosphere

With selenium; potassium tert-butylate; triethylamine; In dichloromethane; N,N-dimethyl-formamide;
DOI:10.1002/ejic.201900407

Reference yield:

: 88-67-5
2-Iodobenzoic acid

: 94-09-7
p-aminoethylbenzoate

: 81743-93-3
ethyl 4-(3-oxobenzo[d][1,2]selenazol-2(3H)-yl)benzoate

Guidance literature:: Multi-step reaction with 2 steps

1.1: HATU / dichloromethane / 0.5 h / Cooling with ice

1.2: 6 h / 20 °C

2.1: potassium selenocyanate; copper(l) iodide; 1,10-Phenanthroline; caesium carbonate / N,N-dimethyl-formamide / 100 °C / Inert atmosphere

With copper(l) iodide; 1,10-Phenanthroline; potassium selenocyanate; caesium carbonate; HATU; In dichloromethane; N,N-dimethyl-formamide;