1,2-Benzisoselenazol-3(2H)-one, 6-methoxy-2-phenyl-

Base Information

• Chemical Name: 1,2-Benzisoselenazol-3(2H)-one, 6-methoxy-2-phenyl-
• CAS No.: 81744-07-2
• Molecular Formula: C₁₄H₁₁NO₂Se
• Molecular Weight: 304.207
• DSSTox Substance ID: DTXSID50231327
• Wikidata: Q83112219
• ChEMBL ID: CHEMBL5077193
• Mol file: 81744-07-2.mol

Synonyms:81744-07-2;1,2-Benzisoselenazol-3(2H)-one, 6-methoxy-2-phenyl-;6-Methoxy-2-phenyl-1,2-benzisoselenazol-3(2H)-one;CHEMBL5077193;SCHEMBL10501293;DTXSID50231327;LS-33533;1,2-BENZISOSELENAZOL-3(2H)-ONE,6-METHOXY-2-PHENYL-

Chemical Property of 1,2-Benzisoselenazol-3(2H)-one, 6-methoxy-2-phenyl-

Chemical Property:

• Vapor Pressure: 4.23E-08mmHg at 25°C
• Boiling Point: 444.6°C at 760 mmHg
• Flash Point: 222.7°C
• PSA: 31.23000
• 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: 317

Purity/Quality:

1,2-BENZISOSELENAZOL-3(2H)-ONE, 6-METHOXY-2-PHENYL- 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC2=C(C=C1)C(=O)N([Se]2)C3=CC=CC=C3

Technology Process of 1,2-Benzisoselenazol-3(2H)-one, 6-methoxy-2-phenyl-

There total 5 articles about 1,2-Benzisoselenazol-3(2H)-one, 6-methoxy-2-phenyl- 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:

C8H6Cl2O2Se + aniline (62-53-3) → 2-phenyl-6-methoxybenzoisoselen-3-one (81744-07-2)

Guidance literature:

With triethylamine; In dichloromethane; Inert atmosphere;

DOI:10.1096/fj.202100465RR

Reference yield:

C14H12INO2 → 2-phenyl-6-methoxybenzoisoselen-3-one (81744-07-2)

Guidance literature:

With selenium; sodium t-butanolate; In N,N-dimethyl-formamide; at 130 ℃; for 12h; Inert atmosphere;

DOI:10.1021/acs.jmedchem.1c00566

Reference yield:

4-methoxyanthranilic acid (4294-95-5) → 2-phenyl-6-methoxybenzoisoselen-3-one (81744-07-2)

Guidance literature:

Multi-step reaction with 3 steps

1: hydrogenchloride; sodium nitrite; disodium diselenide / water / 3 h / 60 °C

2: thionyl chloride / N,N-dimethyl-formamide / 3 h / 85 °C

3: triethylamine / dichloromethane / Inert atmosphere

With hydrogenchloride; thionyl chloride; disodium diselenide; triethylamine; sodium nitrite; In dichloromethane; water; N,N-dimethyl-formamide;

DOI:10.1096/fj.202100465RR

upstream raw materials:

4-methoxyanthranilic acid

aniline