7-Nitro-2-phenyl-1,2-benzoselenazol-3-one

Base Information

• Chemical Name: 7-Nitro-2-phenyl-1,2-benzoselenazol-3-one
• CAS No.: 119214-92-5
• Molecular Formula: C13H8 N2 O3 Se
• Molecular Weight: 319.178
• DSSTox Substance ID: DTXSID30152344
• Nikkaji Number: J2.902.526F
• Wikidata: Q83018965
• Mol file: 119214-92-5.mol

Synonyms:NAT 02-761;NAT-02-761;RP 63600;RP-63600;RP63600

Chemical Property of 7-Nitro-2-phenyl-1,2-benzoselenazol-3-one

Chemical Property:

• Vapor Pressure: 1.48E-09mmHg at 25°C
• Boiling Point: 484.8°Cat760mmHg
• Flash Point: 247°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 319.97001
• Heavy Atom Count: 19
• Complexity: 379

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)N2C(=O)C3=C([Se]2)C(=CC=C3)[N+](=O)[O-]

Technology Process of 7-Nitro-2-phenyl-1,2-benzoselenazol-3-one

There total 6 articles about 7-Nitro-2-phenyl-1,2-benzoselenazol-3-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: 95.0%

2-(butylselanyl)-3-nitro-N-phenylbenzamide (1315303-56-0) → 7-nitro-2-phenylbenzo[d][1,2]selenazol-3(2H)-one (119214-92-5)

Guidance literature:

With bromine; triethylamine; In chloroform; at 0 - 20 ℃; for 3h; Inert atmosphere;

DOI:10.1021/acs.joc.6b02418

Reference yield: 77.0%

2-chloro-N-phenyl-3-nitrobenzamide (109537-17-9) → 7-nitro-2-phenylbenzo[d][1,2]selenazol-3(2H)-one (119214-92-5)

Guidance literature:

With selenium; copper(l) iodide; 1,10-Phenanthroline; potassium carbonate; In N,N-dimethyl-formamide; at 110 ℃; for 14h; Inert atmosphere;

DOI:10.1021/ol102027j

Reference yield:

C13H9BrN2O3Se → 7-nitro-2-phenylbenzo[d][1,2]selenazol-3(2H)-one (119214-92-5)

Guidance literature:

With triethylamine; In chloroform; at 20 ℃; for 2h; Inert atmosphere;

DOI:10.1002/ejoc.201100899

upstream raw materials:

aniline

2-bromo-3-nitro-benzoic acid

2-methylseleno-3-nitrobenzoic acid

2-chloro-N-phenyl-3-nitrobenzamide